Alexander Hampel
0c9539ddf0
[build] fix intel f2py build of elk converter ( #249 )
...
* [build] fix intel f2py build of elk converter
* improvements from @wentzell
2024-03-08 11:06:53 -05:00
Nils Wentzell
ae8d373c72
Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable
2024-03-05 10:52:20 -05:00
Nils Wentzell
196b7a4d9f
[cmake] Fix naming in easybuild template file
2024-03-05 10:25:02 -05:00
Thomas Hahn
a3a49e514a
Update macos build instructions in Jenkinsfile and build.yml
2024-03-05 10:11:26 -05:00
Nils Wentzell
eaa7c43551
Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable
2024-03-04 17:59:48 -05:00
Nils Wentzell
44580aad29
Additional corrections to 8d850803
2024-03-04 17:51:58 -05:00
Nils Wentzell
9c6917526c
[cmake] Do not define DEBUG macros for RelWithDebInfo builds
2024-03-04 17:25:14 -05:00
Nils Wentzell
7bac90fdcb
[cmake] Correct target file inclusion PATH to be absolute
2024-03-01 13:55:40 -05:00
Nils Wentzell
8d850803cb
[cmake] Only use GNUInstallDirs for LIBDIR
2024-03-01 13:55:33 -05:00
Nils Wentzell
e92057573d
[cmake] Fix target inclusion directory to use GNUInstallDirs
2024-03-01 10:38:01 -05:00
Thomas Hahn
1ac5c875e4
[cmake] Use unstable branch of cpp2py
2024-02-28 16:10:12 -05:00
Nils Wentzell
d202f698fe
[cmake] Minor improvements in top-level CMakeLists.txt
2024-02-27 12:19:10 -05:00
Nils Wentzell
3e1a77116e
[cmake] Consistently use GNUInstallDirs for install commands
2024-02-27 12:06:45 -05:00
Alexander Hampel
b355173cf1
[feat] improved standard behavior of block struct ( #248 )
...
* previously the default gf_struct_solver had keys up / down,
inconsistent with the default behavior after analyse_block_structure was
run: up_0 / down_0. Now the default solver structure always has the _0
in the key.
* old behavior resulted in error when analyse_block_structure was called
twice
* fixed analyse block structure tests with new changes
* to correctly use analyse_block_structure use now
extract_G_loc(transform_to_solver_blocks=False)
* changed density_matrix function to use directly extract_G_loc() if
using_gf is selected.
* print deprecation warning in density_matrix, same can be achieved via
extract_G_loc and [G.density() for G in Gloc]
* new function density_matrix_using_point_integration()
* enforce in analyse block structure that input dm or G is list with
length of n_corr_shells
* correct doc string for how include_shells are given
* fixed other tests accordingly
* fixed small bug in initial block structure regarding length of lists
2024-02-26 14:50:24 -05:00
Nils Wentzell
f6e53b6ef2
[jenkins] Add ubuntu-intel build
2024-02-16 11:56:00 -05:00
Dylan Simon
d4d231786e
jenkins: remove my email
2024-02-09 13:42:47 -05:00
Nils Wentzell
a4565a1b34
Set proper GNU install dirs also in env vars file
2024-01-30 10:55:59 -05:00
Nils Wentzell
f6a2e9802a
[cmake] Use GNUInstallDirs to obtain installation directories
2024-01-30 10:51:58 -05:00
Thomas Hahn
3cf71970a5
[build] fix MacOS X build: add ninja as req
...
* Print f2py:meson build logs in github actions
* add ninja as requirement
2024-01-25 16:50:04 -05:00
Alexander Hampel
194cc57714
[fix] scipy.compress depr -> numpy.compress
2024-01-22 15:13:44 -05:00
Alexander Hampel
4951b15fa4
[feat] allow dc_imp to be a triqs Gf object (freq dependent)
2023-12-12 12:32:10 -05:00
Nils Wentzell
e3b947aee8
[cmake] Set policy CMP0144 to new
2023-12-06 16:47:17 -05:00
Nils Wentzell
1a7a9af4e7
Fix typo in Jenkinsfile
2023-12-05 16:33:29 -05:00
Henri Menke
373d30ab61
Bump actions/checkout from 2 to 4
...
Bumps [actions/checkout](https://github.com/actions/checkout ) from 2 to 4.
- [Release notes](https://github.com/actions/checkout/releases )
- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md )
- [Commits](https://github.com/actions/checkout/compare/v2...v4 )
---
updated-dependencies:
- dependency-name: actions/checkout
dependency-type: direct:production
update-type: version-update:semver-major
...
Signed-off-by: Henri Menke <henri@henrimenke.de>
2023-10-31 18:24:37 -04:00
Henri Menke
99b65a348b
Fix settings environment variables
2023-10-31 18:24:37 -04:00
Henri Menke
6b2d9b2bfb
Allow manual dispatch and triggering action from other workflow
2023-10-25 11:20:33 -04:00
Henri Menke
2c70bdfada
Prevent unintentional parallelization in OpenBLAS
2023-10-25 11:20:33 -04:00
Henri Menke
2e3e7d7feb
Use ccache to speed up compilation
2023-10-25 11:20:33 -04:00
Alexander Hampel
c54f346ba3
[build] py312 add setuptools and meson as explicit dep for f2py
2023-10-24 16:16:30 -04:00
Alexander Hampel
bd88140192
[fix] incorrect numpy data type for Max OS ARM
2023-10-24 16:14:20 -04:00
Alexander Hampel
ab04e46ebf
[build] add packaging directory to cmake
2023-09-27 13:44:47 -04:00
Nils Wentzell
f4fb3278ee
[cmake] Run Debug checks also in RelWithDebInfo build mode
2023-09-27 11:14:33 -04:00
Nils Wentzell
93ee35d25e
[jenkins] For sanitized build use RelWithDebInfo build mode
2023-09-27 11:14:33 -04:00
Nils Wentzell
b4fb9624e3
Remove numpydoc sources from doc/sphinxext
2023-09-27 11:14:33 -04:00
Alexander Hampel
dfe7c014fe
[build] automatically set version in packaging
2023-09-26 15:24:08 -04:00
Nils Wentzell
0ca04d26a7
Raise shm size for docker run commands to comply with mkl requirements
2023-09-18 17:25:48 -04:00
Nils Wentzell
319e8b4dd5
[doc] Correct Ubuntu Version in install instructions
2023-09-15 14:45:56 -04:00
Nils Wentzell
057c239461
Skip image and binary files in replace_and_rename
2023-09-13 14:52:08 -04:00
Nils Wentzell
a5ab612302
Use python3 instead of python2 in replace_and_rename.py script
2023-09-13 14:50:44 -04:00
Alexander Hampel
09eaa7a378
[doc] add util module to autodoc
2023-09-03 11:31:30 +02:00
Nils Wentzell
5dae1aa028
Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable
2023-09-01 07:49:50 -04:00
Alexander Hampel
07830a6b3b
[doc] Add 3.2.0 changelog
2023-09-01 09:45:27 +02:00
Thomas Hahn
1320dda5c3
[cmake] Change target for compiler warnings
2023-08-24 12:38:37 -04:00
Nils Wentzell
0c65844c7b
Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable
2023-08-23 16:54:42 -04:00
Nils Wentzell
72029ee2ba
[cmake] Fix sanitizer target names
2023-08-21 17:56:39 -04:00
Thomas Hahn
54d4be9e08
[cmake] Add compiler warnings for IntelLLVM
2023-08-21 17:50:58 -04:00
Nils Wentzell
74491922a8
[cmake] Do not find find cpp2py when PythonSupport==OFF and subproject
2023-08-15 16:13:54 -04:00
Alexander Hampel
c08a0923f4
[build] add libcxx flags for clang workflows
2023-08-15 13:54:10 -04:00
Nils Wentzell
c0afc3c44b
[cmake] Protect against redefining santizier targets
2023-08-04 14:52:46 -04:00
Nils Wentzell
cb99846580
[cmake] Install bash files contained in doc pages
2023-08-03 16:20:11 -04:00
