scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
22,685 Commits 6 Branches 40 Tags 1.8 GiB
Commit Graph

103 Commits

Author SHA1 Message Date
Davide Ceresoli ec0e7cd2a4 small fixes to CMAKE 2022-09-22 08:43:11 +02:00
Davide Ceresoli 202f515d1e CMAKE for QE-GIPAW as a plugin 
In q-e/build:
cmake -D.... -DQE_ENABLE_PLUGINS="qe-gipaw" -DQE_ENABLE_FOX=ON ..
 2022-09-08 21:17:28 +02:00
Davide Ceresoli 702c0f59d4 CMAKE for QE-GIPAW 
In QE/build:
cmake .... -DQE_ENABLE_GIPAW=ON ..
make qe_gipaw_exe
 2022-09-08 14:19:44 +02:00
Ye Luo 3c668f6821 Update pw2qmcpack hash 2022-07-12 07:57:38 -05:00
Ye Luo 5e356a46e4 Add QE_ENABLE_FOX option. 2022-07-10 12:32:44 -05:00
Laura Bellentani 28daa9c2e2 Changes to enable compilation without GPU support 2022-06-29 10:00:27 +02:00
Ye Luo 4351287468 [CMake] Add w90 customized target and also restore wannier90.x exectuable name. 2022-04-23 11:29:43 -05:00
Pietro Delugas 362f429441 Merge branch 'add-plugin-pw2qmcpack' into 'develop' 
Add pw2qmcpack plugin to CMake

See merge request QEF/q-e!1804
 2022-04-09 09:26:06 +00:00
Ye Luo 8c7d290414 Add pw2qmcpack plugin to CMake. 2022-04-06 18:31:25 -05:00
Edan Bainglass 142fb86873 Added CMAKE support 2022-03-31 13:41:58 -05:00
Daniele Cesarini d9a82a9358 Options outside of if/else 2022-02-16 16:36:42 +01:00
Daniele Cesarini fd4b7995c4 Renaming internal library options 2022-02-16 16:11:18 +01:00
Daniele Cesarini ed144104cf Added CMake finder for external libraries 2022-02-16 12:53:33 +01:00
Daniele Cesarini a7abbe586e Improved finders for libraries and modules 2022-02-15 20:07:14 +01:00
Daniele Cesarini 10e0fd0b65 Fixed missing include dir 2022-02-15 19:26:21 +01:00
Daniele Cesarini 4bbdc6ddca Added finder for libmbd 2022-02-15 19:26:06 +01:00
Ye Luo 75b0e51aaf Merge branch 'nosolver' into 'develop' 
Compilation with make for MBD simplified

See merge request QEF/q-e!1751
 2022-02-05 20:04:05 +00:00
Ye Luo f8e7b3699e Remove eigensolver_gpu submodule and its CMake ref. 2022-02-04 13:05:03 -06:00
Paolo Giannozzi 65fc312b3b Compilation with make for MBD simplified 
Not sure what to do with the scalapack make (we do not use it)
 2022-02-04 17:30:29 +01:00
Pietro Delugas f24381e756 moving submodule external/fox to PR #6 2022-02-02 15:08:44 +01:00
Ye Luo 69517a81d8 Update wannier90 submodule to v3.1.0 tag. 2022-01-22 12:12:10 -06:00
Ye Luo d2d727d055 Update D3Q hash 2022-01-05 11:23:05 -06:00
Ye Luo 6717c7d4f3 Introduce QE_ENABLE_PLUGINS, semicolon-separated list of plugins 2022-01-01 15:42:45 -06:00
Ye Luo 561992fbcd Add d3q gitsubmodule 2022-01-01 00:26:35 -06:00
Ye Luo 738203f6e4 [CMake] Install mbd and internal lapack properly 2021-12-06 11:01:50 -06:00
Ye Luo c6f79e08f1 [CMake] Fix mbd when using internal lapack 2021-12-04 20:33:59 -06:00
Ye Luo 4841273f08 Add initialize_external_repos.sh. 2021-11-07 15:50:50 -06:00
Pietro Delugas 048417b0b1 update external/submodule_commit_hash_records 2021-10-28 15:38:41 +02:00
Pietro Delugas 6dd0e0a2e2 make devxlib submodule point to tag 0.1.0 2021-10-28 15:37:31 +02:00
Ye Luo 8037f27e2e Format cmake files. 2021-08-07 11:11:52 -05:00
Ye Luo 9edf59e090 Add external wannier90 support but still need fixes. 2021-08-07 11:06:36 -05:00
Ye Luo ced01af8ff Improve external fox devxlib detection. 2021-08-07 10:20:29 -05:00
Ye Luo f2a023c6e3 Split external/CMakeLists.txt into individual <package>.cmake 2021-08-07 09:48:08 -05:00
Ye Luo 4f0d2685f8 Allow using pre-built devxlib. 2021-08-07 09:26:06 -05:00
Ye Luo ce8fec50c8 Test cusolver Zhegvdx instead of a warning blindly. 2021-05-25 09:02:57 -05:00
Ye Luo 4488a23dc7 Update FoX. 2021-05-19 16:16:48 -05:00
Ye Luo fd4abf5fbe Update comments. 2021-05-18 01:41:38 -05:00
Ye Luo dbf306d739 Enable CMake support when source is not git repo. 2021-05-18 00:18:29 -05:00
Ye Luo f8ec3851d1 Update FoX 2021-05-14 12:11:34 -05:00
Ye Luo a8ba6c390c qe_eigensolver_gpu needs qe_lapack dependency. 2021-03-10 22:42:29 -06:00
Paolo Giannozzi 0b1e2aac5a Libbeef removed 2021-01-20 19:11:18 +01:00
Daniele Cesarini 586f66aadf Introduce CUDA support in CMake with some refactoring. 2021-01-18 14:50:50 +00:00
Ye Luo 97479d10c0 Disable mbd tests as they are not built. 2021-01-13 19:52:27 -06:00
giannozz c9c30d5ba7 Merge branch 'fftxlib_docs' into 'develop' 
documenting CUDA code in FFTXlib

See merge request QEF/q-e!1185
 2020-12-19 20:18:10 +00:00
Szabolcs Goger c6a507a5bc Merge branch 'develop' into 'mbd_develop' 
# Conflicts:
#   external/CMakeLists.txt
 2020-12-01 19:57:03 +00:00
Hsin-Yu Ko f6ae2d9ad7 add back missing mbd cmake 2020-12-01 14:54:21 -05:00
Pietro Bonfa 38cb7372f6 Some more comments 2020-11-23 22:04:56 +01:00
Szabolcs Goger 1473ebbfcf Merge branch 'hyk.resolve_cmake_conflict' into 'develop' 
Hyk.resolve cmake conflict

See merge request szabi_public/q-e!4
 2020-11-23 14:14:06 +00:00
Hsin-Yu Ko 1b1da9b5d1 Merge branch 'develop' into szabi_public_develop 2020-11-23 08:48:40 -05:00
Daniele Cesarini b2a4a6b89f Fixed shared library compilation 2020-11-23 12:16:32 +01:00