LCPQ/dft_tools
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Code Issues Releases Wiki Activity
1,343 Commits 10 Branches 21 Tags 85 MiB
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36 Commits

Author SHA1 Message Date
Alexander Hampel
6df646ea0b [build] update github workflow to match triqs unstable req 2023-06-07 09:00:15 -04:00
Nils Wentzell
e324b5728c Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2022-11-18 15:34:08 -05:00
Nils Wentzell
64ad0ad904 [ghactions] Switch osx build to macos-12 2022-07-07 16:46:40 -04:00
Nils Wentzell
58298e35ea Merge remote-tracking branch 'app4triqs-remote/3.1.x' into unstable 2022-02-28 15:18:51 -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
Nils Wentzell
3b1d926dae [ghactions] Correction to build.yml for macos-11 2022-01-24 14:55:00 -05:00
Nils Wentzell
6cae099a1b [ghactions] Switch back to macos-11 workers as macos-12 ones are not yet available 2022-01-24 14:34:25 -05:00
Nils Wentzell
63d06e5444 [ghactions] Switch from macos-11 to macos-12 2022-01-20 16:33:39 -05:00
Nils Wentzell
67e07551f7 [ghactions] Fix: Run llvm install script for version 13 instead of 12 2022-01-20 15:28:32 -05:00
Nils Wentzell
e58cd8c19d Bump clang version for github action build from 12 to 13 2021-12-14 17:39:10 -05:00
Alexander Hampel
29c7c337b1 merge latest app4trqs skeleton changes 2021-09-17 14:24:22 -04:00
Nils Wentzell
84d45485f9 [ghactions] Install libomp in Ubuntu setup 2021-06-11 09:25:32 -04:00
Nils Wentzell
755381be4b Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2021-06-03 15:03:37 -04:00
Nils Wentzell
dad5c8df94 [ghactions] Build on osx 11 (big sur) 2021-05-27 17:04:11 -04:00
Nils Wentzell
5db2431989 [ghactions] Generate VERBOSE build log on compilation failure 2021-05-27 16:16:36 -04:00
Nils Wentzell
429e625d09 [ghactions] Bump ubuntu builds to clang12 and osx builds to gcc11 2021-05-27 15:45:41 -04:00
Nils Wentzell
60b1a247ce [gh-actions] Specify FC env variable during build 2021-02-03 12:24:06 -05:00
Nils Wentzell
6dccb363de Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2021-02-03 11:03:08 -05:00
Nils Wentzell
1baca5f156 [gh-actions] Install gfortran for OSX builds 2021-02-03 09:19:12 -05:00
Nils Wentzell
2b28ef836c [ghactions] Be sure to apt-get update before apt-get install 2021-01-22 14:40:20 -05:00
Nils Wentzell
4521842a07 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2020-10-30 16:13:51 -04:00
Nils Wentzell
d4fba7b4ce [gh-actions] Install numpy scipy and mpi4py through pip3 instead of brew 2020-10-30 15:15:17 -04:00
Nils Wentzell
2446cc5843 [gh-actions] Fix broken llvm brew install command 2020-10-30 14:41:28 -04:00
Nils Wentzell
4d88bddd0b [gh-actions] Do not stop all builds if one of them fails 2020-10-30 14:40:39 -04:00
Nils Wentzell
4525076ed6 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2020-10-09 09:28:38 -04:00
Nils Wentzell
f5ebef3af8 Adjust triqsvars.sh location in github actions and conda build scripts 2020-10-09 09:25:37 -04:00
Nils Wentzell
69c16ec212 Fix location of triqsvars.sh in gh actions build workflow 2020-09-30 10:35:11 -04:00
Nils Wentzell
df285d3fb8 Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable 2020-08-10 11:19:42 -04:00
Nils Wentzell
0e3c3a48a5 Fix osx build environment in github actions workflow 2020-08-08 20:47:23 -04:00
Nils Wentzell
de8b2bd95e Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable 2020-08-08 16:37:03 -04:00
Nils Wentzell
23568264b5 Replace travis.yml by github workflow 2020-08-08 15:19:54 -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
762435cf0b Add github issue templates for bug and feature request 2019-10-16 10:01:16 -04:00
Nils Wentzell
eefa265359 [doc] Include a markdown cheat sheet in the feature request issue template 2019-09-17 14:04:27 -04:00
Nils Wentzell
bdee25bb1b [doc] Clean issue templates and make them more concise 2019-09-17 14:00:03 -04:00
Nils Wentzell
3676be09db Add issue templates for bug and feature request 2019-05-22 17:25:28 -04:00