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Commit Graph

  • a27e231c4d [jenkins] increase build parallelism to -j4 Dylan Simon 2021-06-03 12:18:33 -04:00
  • 1a63d0854c [jenkins] more explicit node allocation Dylan Simon 2021-06-03 00:59:04 -04:00
  • ba7edf6053 Merge remote-tracking branch 'app4triqs-remote/3.0.x' into 3.0.x Nils Wentzell 2021-05-28 14:43:10 -04:00
  • 8cc1949be0 [jenkins] add sanitize platform build Dylan Simon 2021-05-28 13:11:47 -04:00
  • 89e1163f21 [cmake] Remove usage of linktime optimizations Nils Wentzell 2021-05-27 17:50:59 -04:00
  • 3c5196722f [jenkins] Bump osx gcc version to 11 Nils Wentzell 2021-05-27 17:48:02 -04:00
  • d902a04b67 [jenkins] Remove centos-gcc build Nils Wentzell 2021-05-27 17:47:28 -04:00
  • db0b1ab82e [jenkins] switch osx to gcc-11 Dylan Simon 2021-05-27 17:27:11 -04:00
  • dad5c8df94 [ghactions] Build on osx 11 (big sur) Nils Wentzell 2021-05-27 17:04:11 -04:00
  • 5db2431989 [ghactions] Generate VERBOSE build log on compilation failure Nils Wentzell 2021-05-27 15:31:49 -04:00
  • 429e625d09 [ghactions] Bump ubuntu builds to clang12 and osx builds to gcc11 Nils Wentzell 2021-05-27 15:31:16 -04:00
  • 33b548eb59 Switch Build_Deps default from IfNotFound to Always Nils Wentzell 2021-04-13 09:41:34 -04:00
  • 6a8d838b20 from_L_G_R requires a Green function with data layed out in C-order Nils Wentzell 2021-05-26 17:49:09 -04:00
  • b69baf140e Use nda over TRIQS_RUNTIME_ERROR in dos_tetra3d Nils Wentzell 2021-05-25 16:53:52 -04:00
  • 3648fd74e8 Automated porting to triqs + meshes + nda Nils Wentzell 2021-05-18 14:29:45 -04:00
  • 342aa363d9 fixed tests to work with dev version of triqs Alexander Hampel 2021-01-12 09:52:58 -05:00
  • 9b22859553 added helper function to flatten gf_struct objects for new triqs version Alexander Hampel 2021-01-12 09:52:37 -05:00
  • fae1217fa4 switched lapack target from triqs to nda Alexander Hampel 2021-01-12 09:51:21 -05:00
  • 3122ab2a83
         Updates of Wannier90Converter: (#169) Sophie Beck 2021-05-06 08:37:15 -04:00
  • 0a71b29096
         Added parameter kpts_to_write to SumkDFT.calc_density_correction (#170) merkelm 2021-05-05 17:55:40 +02:00
  • 4e1cdfe4e2 [jenkins] update osx python path for 3.9 Dylan Simon 2021-03-01 12:26:42 -05:00
  • 6fc01806d0 update SVO tutorial for dft tools 3 Jonathan Karp 2021-02-25 12:41:57 -05:00
  • 550199fe97
         Merge pull request #166 from jkarp314/patch-2 Alexander Hampel 2021-02-25 13:51:37 -05:00
  • 783dba2ae3
         update SVO tutorial for dft tools 3 Jonathan Karp 2021-02-25 12:41:57 -05:00
  • ad0853b6bc Revert "[jenkins] try setting ansiColor as a build property" Dylan Simon 2021-02-17 15:48:52 -05:00
  • 2a9b29741e [jenkins] try setting ansiColor as a build property Dylan Simon 2021-02-17 15:43:40 -05:00
  • ab32b3fb51 [jenkins] try adding ansiColor support Dylan Simon 2021-02-17 14:28:20 -05:00
  • 064a3c85f9 [jenkins] For failed compilation on OSX, follow up with a serial VERBOSE=1 build Nils Wentzell 2021-02-10 10:45:35 -05:00
  • 07ddcb3c40 [cmake] For Build_Documentation=ON make sure PythonSupport is enabled Nils Wentzell 2021-02-09 16:39:07 -05:00
  • 5ac27b8f2e
         Update guide on Vasp src changes for converter Alexander Hampel 2021-02-08 08:04:15 -05:00
  • 92e24a9ada
         Revision of Wannier90Converter: Alexander Hampel 2021-02-05 18:08:46 -05:00
  • aeaebb04ae Revision of Wannier90Converter: 1) write the Hamiltonian in Bloch space for charge self-consistent calculations, and 2) spin-orbit coupling sobeck 2020-09-15 16:36:57 +02:00
  • 2d7818a85f Add scipy to requirements.txt Nils Wentzell 2021-02-05 12:09:10 -05:00
  • 3973147669 Add numpy to requirements.txt Nils Wentzell 2021-02-05 12:06:47 -05:00
  • 2fdced8d63 Add mako to requirements.txt Nils Wentzell 2021-02-05 11:49:46 -05:00
  • 60b1a247ce [gh-actions] Specify FC env variable during build Nils Wentzell 2021-02-03 11:32:07 -05:00
  • 6dccb363de Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2021-02-03 11:03:08 -05:00
  • d0c0bc1cde [cmake] Clean up IPO section in CMakeLists.txt Nils Wentzell 2021-02-03 11:02:56 -05:00
  • 57e9896b9a [cmake] Restore compatibility against cmake version 3.9.6 Nils Wentzell 2021-02-03 11:00:07 -05:00
  • 1baca5f156 [gh-actions] Install gfortran for OSX builds Nils Wentzell 2021-02-03 09:18:58 -05:00
  • 16bf47b9cc [cmake] Globally disable compiler extensions, minor improvements in CMakeLists.txt Nils Wentzell 2021-02-01 15:02:57 -05:00
  • 73aa51608e [cmake] In extract_flags.cmake inspect INTERFACE_COMPILE_FEATURES and add -std=.. flags accordingly Nils Wentzell 2021-02-01 09:42:03 -05:00
  • 5031acea73 [ghactions] Be sure to apt-get update before apt-get install Nils Wentzell 2021-01-22 14:40:20 -05:00
  • efad2fe6ef [cmake] Use googletest master branch (live-at-head) instead of release-1.10.0 Nils Wentzell 2021-01-22 15:39:11 -05:00
  • f247db58d8 [cmake] Enable Linktime optimizations when available, bump cmake requirement to 3.9.6 Nils Wentzell 2021-01-22 14:53:04 -05:00
  • 6bd1e51c4e [cmake] Provide an alias PROJECT_NAME::module_name for each module Nils Wentzell 2021-01-22 14:49:47 -05:00
  • 74cf0207dc Do not warn about c++20 extensions when using clang Nils Wentzell 2021-01-22 14:49:22 -05:00
  • 2b28ef836c [ghactions] Be sure to apt-get update before apt-get install Nils Wentzell 2021-01-22 14:40:20 -05:00
  • 4d618d36da
         Merge pull request #159 from AlynJ/elkcon_bands Alexander Hampel 2021-01-20 15:36:17 -05:00
  • c5c2f6daed elk_bands_update Alyn James 2021-01-20 12:54:10 +00:00
  • c02a8585a5 triqs3 bugfix in doc Hermann Schnait 2021-01-14 10:41:10 +01:00
  • 5f658e93c3
         Merge pull request #158 from TRIQS/hschnait-patch-1 Alexander Hampel 2021-01-14 09:13:43 -05:00
  • b4040055b5
         triqs3 bugfix in doc Hermann Schnait 2021-01-14 10:41:10 +01:00
  • e33eec8c7e
         Merge pull request #154 from 70akaline/unstable Alexander Hampel 2020-11-27 10:37:45 -05:00
  • 7634752eb1
         symm_deg_gf var name update 70akaline 2020-11-26 13:07:04 +00:00
  • c70e1aa483
         wrong order of orbital setting and set Coulomb mat 70akaline 2020-11-26 13:02:33 +00:00
  • 93cf096932 changed fermi weights from np array complex to float in accordance with h5 structure Alexander Hampel 2020-11-24 16:35:27 -05:00
  • fc2ce66238 corrections to additional h5 structure format Alexander Hampel 2020-11-24 16:03:32 -05:00
  • 160dc9d9ae
         Merge pull request #152 from materialstheory/unstable Alexander Hampel 2020-10-30 17:29:52 -04:00
  • 4521842a07 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2020-10-30 16:13:51 -04:00
  • 1f8cf2462b [gh-actions] Install numpy scipy and mpi4py through pip3 instead of brew Nils Wentzell 2020-10-30 15:15:17 -04:00
  • 103a7fdefd [gh-actions] Fix broken llvm brew install command Nils Wentzell 2020-10-30 14:41:28 -04:00
  • 8870ca8adf [gh-actions] Do not stop all builds if one of them fails Nils Wentzell 2020-10-30 14:40:39 -04:00
  • d4fba7b4ce [gh-actions] Install numpy scipy and mpi4py through pip3 instead of brew Nils Wentzell 2020-10-30 15:15:17 -04:00
  • 2446cc5843 [gh-actions] Fix broken llvm brew install command Nils Wentzell 2020-10-30 14:41:28 -04:00
  • 4d88bddd0b [gh-actions] Do not stop all builds if one of them fails Nils Wentzell 2020-10-30 14:40:39 -04:00
  • 32df9c4c5f [cmake] Set VERSION property for project library using major and minor version numbers Nils Wentzell 2020-10-30 14:39:40 -04:00
  • 547a7e3211 Ignore build* directories in .dockerignore Nils Wentzell 2020-10-30 14:37:34 -04:00
  • 1fa2376a99 sum_k.calc_mu exposes dichotomy parameter max_loops mmerkel 2020-10-30 18:58:57 +01:00
  • b0b2a64286 removed unused debug print commands Alexander Hampel 2020-10-12 07:52:19 -04:00
  • 4525076ed6 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2020-10-09 09:28:38 -04:00
  • f5ebef3af8 Adjust triqsvars.sh location in github actions and conda build scripts Nils Wentzell 2020-10-09 09:25:37 -04:00
  • 6b393bf710
         fix wrong link to image in svo tutorial Alexander Hampel 2020-10-09 08:51:16 -04:00
  • ad8c4e75fe
         Elk converter (#151) AlynJ 2020-10-09 13:35:28 +01:00
  • 7ed25b8ae7 fix for malformed cmake options table Alexander Hampel 2020-10-05 18:19:20 -04:00
  • 966ebabd79 fix for malformed cmake options table Alexander Hampel 2020-10-05 18:19:20 -04:00
  • 69c16ec212 Fix location of triqsvars.sh in gh actions build workflow Nils Wentzell 2020-09-30 10:35:11 -04:00
  • 384a45adae added note about compiler comp between triqs and dft codes Alexander Hampel 2020-09-28 14:48:06 -04:00
  • d76a28c80a [cmake] Install app4triqsvars.sh into subdirectory of share only for non-system install prefix Nils Wentzell 2020-09-23 12:10:27 -04:00
  • 5cf590e440 [cmake] Set @PROJECT_NAME@_MODULE_DIR in config.cmake file when PythonSupport enabled Nils Wentzell 2020-09-21 09:37:31 -04:00
  • 682a257a1b Merge remote-tracking branch 'app4triqs-remote/3.0.x' into 3.0.x 3.0.0 Nils Wentzell 2020-09-10 13:11:48 -04:00
  • d5816335f9 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2020-09-10 13:04:30 -04:00
  • 556937134e Merge remote-tracking branch 'app4triqs/unstable' into unstable Dylan Simon 2020-09-10 11:57:06 -04:00
  • 76cb6414f6 [cmake] Properly suppress comma subscript warning on both clang and gcc Nils Wentzell 2020-09-10 10:11:41 -04:00
  • b849c4383d Merge branch '3.0.x' into unstable Dylan Simon 2020-09-10 10:02:27 -04:00
  • b6809e7dad Merge remote-tracking branch 'app4triqs/3.0.x' into 3.0.x Dylan Simon 2020-09-09 21:36:27 -04:00
  • 7c8d2ff37d [jenkins] update osx to python3.8 Dylan Simon 2020-09-09 19:32:24 -04:00
  • 87637f8d68 [jenkins] switch to gcc-10 on osx Dylan Simon 2020-09-09 19:03:28 -04:00
  • 5dbd12f165 [cmake] Use FindGit.cmake in external_dependency.cmake, Improve error message on clone failure Nils Wentzell 2020-09-09 15:51:00 -04:00
  • 14d30a1a14 [cmake] Do not warn about unkown warning options Nils Wentzell 2020-09-09 12:03:55 -04:00
  • 943b994345 fix for bug in wannier90 converter Alexander Hampel 2020-08-25 08:22:45 -04:00
  • 526e1b1277 update link to dft_tools github in sidebar Alexander Hampel 2020-08-26 11:19:48 +02:00
  • bdb901d34d
         update link to dft_tools github in sidebar Alexander Hampel 2020-08-26 11:19:48 +02:00
  • d61ce6eaae fix for bug in wannier90 converter Alexander Hampel 2020-08-25 08:22:45 -04:00
  • 6a104622d1 renamed w90 reference h5 archive sobeck 2020-08-17 17:53:47 +02:00
  • 765bb6b3cb added new test in w90_convert.py for rot_mat_type='hloc_diag' sobeck 2020-08-17 17:40:06 +02:00
  • 393753dc96 typo in wannier90.py sobeck 2020-08-17 17:36:47 +02:00
  • c6385b16d4 Bug fix: changed use_rotations from bool to int mmerkel 2020-08-13 17:08:02 +02:00
  • 52d2159c18 Small bugfixes mmerkel 2020-08-13 14:46:18 +02:00
  • 4ebfd15803 Added Gabriele's additional checks mmerkel 2020-08-12 17:14:27 +02:00