3
0
mirror of https://github.com/triqs/dft_tools synced 2024-10-31 11:13:46 +01:00

Commit Graph

  • caf5da4a3a Fix in easybuild template, check for static lib by default Nils Wentzell 2020-08-13 09:28:47 -0400
  • 3ae6cc7042 Small bugfixes mmerkel 2020-08-13 14:46:18 +0200
  • 857c438519 Added Gabriele's additional checks mmerkel 2020-08-12 17:14:27 +0200
  • 51bb01ec61 Added choice of different bases: hloc_diag, wannier (already implemented previously), none mmerkel 2020-08-12 17:09:44 +0200
  • 1adb512316 Clean-up: float comparison tolerances and few minor things mmerkel 2020-08-12 16:51:35 +0200
  • df285d3fb8 Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable Nils Wentzell 2020-08-10 11:19:42 -0400
  • 57a08de155 [doc] Revert to cloudflare mathjax url Nils Wentzell 2020-08-10 11:07:05 -0400
  • a15569f18b [doc] No need to store agogo sphinx theme Nils Wentzell 2020-08-10 10:57:38 -0400
  • d72b245d56 [cmake] Disable warnings about use of comma operator in subscript operator Nils Wentzell 2020-08-08 20:53:25 -0400
  • bcaf78501b Minor adjustments in easybuild template Nils Wentzell 2020-08-08 20:47:58 -0400
  • 8c54de18d9 Fix mistake in naming if easybuild script Nils Wentzell 2020-08-10 09:55:31 -0400
  • cb4f4711cb [doc] Fix sidebar version number Nils Wentzell 2020-08-08 21:19:37 -0400
  • 0e3c3a48a5 Fix osx build environment in github actions workflow Nils Wentzell 2020-08-08 20:47:23 -0400
  • de8b2bd95e Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable Nils Wentzell 2020-08-08 16:23:28 -0400
  • e31cbd0f76 [doc] Update status badge for GH Actions Nils Wentzell 2020-08-08 15:24:13 -0400
  • 23568264b5 Replace travis.yml by github workflow Nils Wentzell 2020-08-06 15:07:35 -0400
  • 182550a831 [cmake] Make sure imported targets are always global, some copyright header adjustments Nils Wentzell 2020-08-07 10:53:16 -0400
  • abdc51ca94 Add template easybuild script Nils Wentzell 2020-08-06 13:39:09 -0400
  • 7047ac8373 Add template for conda packaging Nils Wentzell 2020-08-06 13:36:09 -0400
  • b3763ffb0f typo fix in ChangeLog Alexander Hampel 2020-08-06 09:40:44 +0200
  • 3a78f18cfc dmftproj: add option to specify band indices Manuel Zingl 2020-05-19 22:42:40 -0400
  • b971ff088d dmftproj: add option to specify band indices Manuel Zingl 2020-05-19 22:42:40 -0400
  • 1323ccbe65 fix for rst file Alexander Hampel 2020-08-04 10:58:04 +0200
  • 378f743b09 Update for hdf5 structure reference Alexander Hampel 2020-08-04 10:51:01 +0200
  • eb68c32562 Update changelog for app4triqs 3.0.0 release Nils Wentzell 2020-08-03 15:38:56 -0400
  • 43720b8f8f [cmake] Use find_package over find_dependency in config.cmake.in to improve cmake version compatibility Nils Wentzell 2020-08-03 15:34:31 -0400
  • 5d406b22d9 complete ChangeLog with missing commits from BSrotations branch Alexander Hampel 2020-08-03 18:53:49 +0200
  • 1eabf19570 Revert "[jenkins] inject test failure to test email" Dylan Simon 2020-08-03 11:32:27 -0400
  • ff8124ea24 [jenkins] inject test failure to test email Dylan Simon 2020-08-03 11:25:11 -0400
  • 56483b2d7d [jenkins] send email on test failure too Dylan Simon 2020-08-03 11:23:34 -0400
  • af8cde628e small adjustments to Vasp converter (closes #146) Alexander Hampel 2020-08-03 12:39:34 +0200
  • 79a72fdd98 fixes CMakeLists from previous commit for running vasp tests Alexander Hampel 2020-08-03 12:25:08 +0200
  • 7ce4316bbc fixed py tests for vasp converter not running, fixed test imports, rm plocar_io test (not used) Alexander Hampel 2020-08-03 12:17:16 +0200
  • e15e3232f6 [doc] Some cleaning / resorting in 3.0.0 changelog Nils Wentzell 2020-07-31 09:38:01 -0400
  • 79df43d255 first draft for 3.0 changelog Alexander Hampel 2020-07-31 12:55:58 +0200
  • a158fec7eb small fix to read_inp_from_h5 function of Sumk Alexander Hampel 2020-07-31 11:52:42 +0200
  • 9c23827e01 [doc] Add missing theme images Nils Wentzell 2020-07-27 15:25:32 -0400
  • 5a9fc1118b [cmake] In extract_flags.cmake, protect extraction of -L/usr/lib and fix filtering -I/usr/include Nils Wentzell 2020-07-14 18:29:39 -0400
  • e2f4e9988e [cmake] Extend extract_flags.cmake to treat compiler-specific generator expressions properly Nils Wentzell 2020-07-14 18:29:12 -0400
  • c04128fa0d [cmake] Protect against flags -I/usr/include in extract_flags.cmake Nils Wentzell 2020-07-08 11:25:57 -0400
  • 15e4c6d635 [cmake] Provide information on INSTALL_PREFIX in config.cmake files Nils Wentzell 2020-06-24 10:13:02 -0400
  • 6aff3f1a39 [cmake] Default to -DBuild_Deps=IfNotFound, adjust install instructions Nils Wentzell 2020-06-24 10:06:11 -0400
  • dd33a61cc6 [cmake] When searching dependency sources, check both current dir and CMAKE_SOURCE_DIR/deps Nils Wentzell 2020-06-24 08:57:44 -0400
  • 491bf30795
    Merge branch 'py3' into unstable Alexander Hampel 2020-06-23 15:42:31 +0200
  • e9d06414af Merge remote-tracking branch 'app4triqs-remote/unstable' into py3 Nils Wentzell 2020-06-23 09:23:50 -0400
  • 9d94c78cba Merge branch 'unstable' into py3 Alexander Hampel 2020-06-23 11:24:08 +0200
  • de163cce03
    Merge pull request #144 from jkarp314/unstable Alexander Hampel 2020-06-23 11:22:45 +0200
  • a1209f8a53 renamed converters from app_converter.py to app.py Alexander Hampel 2020-06-23 11:13:00 +0200
  • f27399758e Merge branch 'unstable' into py3 Alexander Hampel 2020-06-23 10:53:52 +0200
  • 81096e417e [cmake] Properly set PATH environment for c++2rst custom command Nils Wentzell 2020-06-18 17:10:15 -0400
  • 853ebf2d6a [cmake] No longer add '-Og' for debug builds Nils Wentzell 2020-06-18 13:58:55 -0400
  • fe53a65b5f [jenkins] align Dockerfile to triqs, too Dylan Simon 2020-06-15 10:35:10 -0400
  • c99d08cbc0 [jenkins] more alignment with triqs Dylan Simon 2020-06-15 10:27:45 -0400
  • c2a4685719 [jenkins] bring into closer alignment with triqs Dylan Simon 2020-06-15 10:20:40 -0400
  • 46ecd2cd3e look at the mesh of each shell of Sigma_imp, not just the first shell Jonathan Karp 2020-06-11 20:31:31 -0400
  • 88802b859c Merge branch 'unstable' of https://github.com/jkarp314/dft_tools into unstable Jonathan Karp 2020-06-11 18:15:54 -0400
  • 2f0f458eb6 add function to find min and max of band energy, and add warning to set_Sigma if its mesh is smaller than the energy bounds Jonathan Karp 2020-06-11 18:13:16 -0400
  • 272ac793a3 Merge remote-tracking branch 'app4triqs-remote/py3' into py3 Nils Wentzell 2020-06-10 18:32:13 -0400
  • 74aefcb1dc [cmake] Make sure to install python modules into their proper subdirectories Nils Wentzell 2020-06-10 18:26:34 -0400
  • 9b1a3c0e7e [cmake] Make sure to install python files into their proper subdirectories Nils Wentzell 2020-06-10 18:20:52 -0400
  • d957772905 Merge remote-tracking branch 'app4triqs-remote/py3' into py3 Nils Wentzell 2020-06-10 18:04:59 -0400
  • 5156e45b5b [cmake] Make sure to use namespaced targets in c++ test dir Nils Wentzell 2020-06-10 16:53:25 -0400
  • 354f1420c1 [doc] Minor fix in install instructions Nils Wentzell 2020-06-10 16:47:19 -0400
  • 612f9b8076 [doc] Use https over http in intersphinx_mapping Nils Wentzell 2020-06-10 16:46:58 -0400
  • b6cedfb0df [cmake] Provide a namespaced alias to the PROJECT_NAME_warnings target Nils Wentzell 2020-06-10 16:46:16 -0400
  • 09ed5c40ad Merge remote-tracking branch 'app4triqs-remote/py3' into py3 Nils Wentzell 2020-06-10 13:38:21 -0400
  • 30773dd24d Merge commit app4triqs skeleton commit 909a772 Nils Wentzell 2020-06-10 13:32:22 -0400
  • a0697652a2 [jenkins] Revert notification email list after app4triqs merge Nils Wentzell 2020-06-10 13:31:46 -0400
  • eb29e0f192 [jenkins] correct jenkins project name Dylan Simon 2020-06-10 12:55:28 -0400
  • 97476c1a1f Replace remaing occurances of SrVO3.h5 with SrVO3.ref.h5 Nils Wentzell 2020-06-10 12:48:43 -0400
  • f4112b3cca removed SrVO3 now SrVO3.ref.h5 and changed the test Alexander Hampel 2020-06-10 18:17:16 +0200
  • 8e9fbc5dc0 add missing deps dir after apps4triqs merge Alexander Hampel 2020-06-10 18:01:36 +0200
  • 11d394fd5b synchronize dfttools with app4triqs structure Alexander Hampel 2020-06-10 17:45:53 +0200
  • acd88f1a62 [cmake] Make sure to generate 'make VERBOSE=1' output on build failure Nils Wentzell 2020-06-09 10:40:37 -0400
  • 4139230849 [doc] Update url in intersphinx_mapping for python Nils Wentzell 2020-06-08 15:36:27 -0400
  • e059d403c1 [cmake] Generalize desc file detection to allow for modules in subdirectories Nils Wentzell 2020-06-08 14:49:39 -0400
  • c98b36140a [doc] Update autorun to latest version, default to utf8 encoding Nils Wentzell 2020-06-08 14:49:06 -0400
  • 0724d9d50e
    Merge pull request #143 from jkarp314/unstable py2_compat Manuel Zingl 2020-06-04 22:43:18 -0400
  • 746710ea48 [cmake] explicitly link cpp2py modules against triqs_py library Nils Wentzell 2020-06-04 11:47:23 -0400
  • e62839f10f
    Update conv_W90.rst jkarp314 2020-06-03 20:12:13 -0400
  • e10ed91e3d
    Update conv_W90.rst jkarp314 2020-06-03 12:39:37 -0400
  • 0c4c793a3d
    Update LaVO3_w90.inp jkarp314 2020-06-03 12:35:15 -0400
  • 37e0cb83d4 unit test for the Fermi energy in the wannier90 converter Jonathan Karp 2020-05-28 18:56:47 -0400
  • aa8c631c27 made fermi_energy an attribute of the converter Jonathan Karp 2020-05-28 16:58:36 -0400
  • 4cc530a129 Update wannier90_converter.py jkarp314 2020-05-28 15:53:41 -0400
  • 909a772205 [cmake] Disable setting c++ standard using target_compile_features Nils Wentzell 2020-05-28 11:50:35 -0400
  • fbe3f2fa0a [cmake] Prefer the use of PROJECT_NAME in most CMakeLists.txt files Nils Wentzell 2020-05-28 11:09:35 -0400
  • 96b305fe8e [doc] Add sphinx.ext.githubpages to conf.py.in Nils Wentzell 2020-05-28 10:58:07 -0400
  • 278dc7ef44 [cmake] In external_project, print dependency location if found in system Nils Wentzell 2020-05-28 10:56:57 -0400
  • 610f4a2430 [cmake] Be sure to set cache variables in app4triqs-config.cmake Nils Wentzell 2020-05-26 10:57:56 -0400
  • 89d6b2d392 [cmake] Fix Problem with VERSION requirement in external_dependency function Nils Wentzell 2020-05-26 10:54:01 -0400
  • 852066938a Update triqs python module name Dylan Simon 2020-05-27 20:16:37 -0400
  • 97c5cad66e [py3] Run port_to_triqs3 script Nils Wentzell 2020-05-27 11:30:24 -0400
  • 21532641a2 [cmake] FIX keyword usage in target_link_libraries command for cpp2py modules Nils Wentzell 2020-05-27 08:00:42 -0400
  • 06c3c821d3 [jenkins] run tests separately and mark failures unstable Dylan Simon 2020-05-19 19:19:19 -0400
  • d3fc0d26bf [cmake] move gtest last (so cpp2py python wins) Dylan Simon 2020-05-19 17:11:16 -0400
  • ab12e2f966 Merge branch 'py3' into unstable Dylan Simon 2020-05-19 14:39:54 -0400
  • 116df6ef67 [jenkins] initial py3 changes Dylan Simon 2020-05-16 13:04:43 -0400
  • aea8d18739 [cmake] In extract_flags allow extraction of BUILD_INTERFACE flags Nils Wentzell 2020-05-15 14:43:08 -0400
  • dbed8f20d5 [cmake] Properly set PYTHONPATH for cpp2rst custom_command Nils Wentzell 2020-05-15 12:09:22 -0400