Commit Graph

14573 Commits

Author SHA1 Message Date
Martin Diehl fc03ebc332 using PETSc with Fortran support for HDF5 2022-01-10 19:58:19 +01:00
Martin Diehl eea8aa94af not used 2022-01-10 18:50:28 +01:00
Martin Diehl 3ae0452440 more robust build
${PETSC_DIR} and ${PETSC_ARCH} are not always substituted in
${PETSC_DIR}/${PETSC_ARCH}/lib/petsc/conf/petscvariables
Therefore, get location from pkgconfig (<XXX>_LIBRARY_DIRS) and use
PETSC_EXTERNAL_LIB_BASIC instead of PETSC_WITH_EXTERNAL_LIB to get the
linker commands for the external libraries.

Also simplified regex/cleaning
2022-01-10 12:01:48 +01:00
Martin Diehl 8de4829d0f testing non-trivial situation 2022-01-10 08:03:37 +01:00
Martin Diehl 076de59375 modern CMake shortcut 2022-01-09 20:48:58 +01:00
Martin Diehl 16f23d4931 simplified 2022-01-05 14:56:17 +01:00
Martin Diehl d18ec3eae1 Merge remote-tracking branch 'origin/improved-reporting' into misc-improvements 2022-01-05 14:54:20 +01:00
Martin Diehl 8070e05b2d Merge remote-tracking branch 'origin/cleaning' into misc-improvements 2022-01-05 14:54:09 +01:00
Martin Diehl 100565c79b slip systems for tI (bct)
simple test. Not the best, but allows easy comparison with
- grep NTWINSYSTEM\ = src/lattice.f90
- grep NSLIPSYSTEM\ = src/lattice.f90
2022-01-05 08:08:10 +01:00
Martin Diehl 0f26da0ec1 nicer reporting 2022-01-04 17:25:01 +01:00
Test User 4880051284 [skip ci] Merge branch 'master' into development 2022-01-03 21:46:45 +01:00
Test User 22db8f430e Merge commit 'v3.0.0-alpha5-343-g09d68b1ff' 2022-01-03 21:46:40 +01:00
Test User 09d68b1fff [skip ci] updated version information after successful test of v3.0.0-alpha5-342-ga177e32ff 2022-01-03 21:46:38 +01:00
Test User e8b69c7871 [skip ci] Merge branch 'master' into development 2022-01-03 15:48:22 +01:00
Test User c51976e2a9 [skip ci] updated version information after successful test of v3.0.0-alpha5-340-g510a26ded 2022-01-03 15:47:34 +01:00
Sharan Roongta b8203e94d8 Merge branch 'pure-LAPACK' into 'development'
improved function attributes

See merge request damask/DAMASK!491
2022-01-03 14:07:54 +00:00
Daniel Otto de Mentock a177e32ff2 Merge branch 'simplified-colormap' into 'development'
simplified

See merge request damask/DAMASK!487
2022-01-03 13:15:00 +00:00
Martin Diehl 510a26ded9 is used in dislotwin according to original paper 2022-01-03 10:36:23 +01:00
Test User 3dd37cdf22 [skip ci] updated version information after successful test of v3.0.0-alpha5-338-g4a0a1f7ac 2022-01-03 02:19:10 +01:00
Martin Diehl 4a0a1f7ac9 paper is online 2022-01-02 22:29:48 +01:00
Martin Diehl b34655b7fc functions without side-effects are 'pure'
basically all 'getter' functions should be pure
2022-01-01 11:39:14 +01:00
Martin Diehl 2f74e0d070 avoid failing self test
increase number of samples to have less corner cases.
Needs to be allocatable to avoid stack/heap issue on ifort
2022-01-01 11:39:02 +01:00
Martin Diehl fb51e3c4cd functions have no side-effects, hence 'pure' 2021-12-29 07:19:26 +01:00
Martin Diehl 59bb264b5f LAPACK routines can be considered pure
all arguments have 'intent' specification and don't access any global
variables.
output to screen only occurs in the case that someting goes wrong
2021-12-29 07:09:52 +01:00
Martin Diehl 4583c17080 corrent 'intent' specification
- http://www.netlib.org/lapack/explore-html/d7/d3b/group__double_g_esolve_ga5ee879032a8365897c3ba91e3dc8d512.html
- http://www.netlib.org/lapack/explore-html/dd/d9a/group__double_g_ecomputational_ga56d9c860ce4ce42ded7f914fdb0683ff.html
2021-12-29 07:00:28 +01:00
Test User e19c17c2bc [skip ci] updated version information after successful test of v3.0.0-alpha5-336-g6871eb302 2021-12-28 14:19:37 +01:00
Franz Roters 6871eb3026 Merge branch 'util-project_homochoric' into 'development'
Lambert azimuthal equal-area (laea) projection

See merge request damask/DAMASK!476
2021-12-28 10:19:18 +00:00
Philip Eisenlohr b2d0fd8ff5 Lambert azimuthal equal-area (laea) projection 2021-12-28 10:19:17 +00:00
Martin Diehl b285702d84 functionality is availabe in grid_filters.py 2021-12-27 21:18:31 +01:00
Test User 2d347e1be1 [skip ci] updated version information after successful test of v3.0.0-alpha5-333-g01cd92755 2021-12-26 21:05:58 +01:00
Martin Diehl 01cd92755d Merge branch 'new-intel' into 'development'
support for LLVM-based Intel compilers

See merge request damask/DAMASK!489
2021-12-26 16:56:24 +00:00
Martin Diehl 4168b101f4 testing LLVM-based compilers
does not work for grid due to missing ML
2021-12-26 13:07:58 +01:00
Martin Diehl a7440da26a options not supported by LLVM-based Intel compilers 2021-12-26 13:06:41 +01:00
Martin Diehl a9293db171 new LLVM-based Intel compilers work
quick test shows significant performance improvement
2021-12-25 18:36:35 +01:00
Martin Diehl e34b8a632c new Intel compilers are available 2021-12-25 16:19:48 +01:00
Test User c080c2d2fd [skip ci] Merge branch 'master' into development 2021-12-25 08:39:19 +01:00
Test User 7acf3d8a02 Merge commit 'v3.0.0-alpha5-324-gac7caa0a6' 2021-12-25 08:39:14 +01:00
Test User ac7caa0a64 [skip ci] updated version information after successful test of v3.0.0-alpha5-323-g2ea293063 2021-12-25 08:39:13 +01:00
Test User 53c81e4af1 [skip ci] Merge branch 'master' into development 2021-12-25 07:15:46 +01:00
Test User 68b34f6022 [skip ci] updated version information after successful test of v3.0.0-alpha5-316-gd8ef23fc9 2021-12-25 07:15:40 +01:00
Philip Eisenlohr 2ea2930638 Merge branch 'keyword-view' into 'development'
using keywords instead of strings to control view

Closes #133

See merge request damask/DAMASK!484
2021-12-24 23:07:10 +00:00
Philip Eisenlohr d8ef23fc91 Merge branch 'vtr-to-vti' into 'development'
don't use deprecated functions

See merge request damask/DAMASK!488
2021-12-24 23:06:04 +00:00
Test User 368f4ac985 [skip ci] updated version information after successful test of v3.0.0-alpha5-313-g8c2266bc5 2021-12-23 22:35:44 +01:00
Martin Diehl 8c2266bc50 bugfix/workaround for failing pipelines on GitHub
credits to @miketimofeev and @mikhailkoliada for the fix
2021-12-23 19:23:02 +01:00
Test User 6e833d2327 [skip ci] updated version information after successful test of v3.0.0-alpha5-311-g38d497819 2021-12-22 12:56:07 +01:00
Martin Diehl dc5172ce63 don't use deprecated functions 2021-12-22 12:41:16 +01:00
Nikhil Prabhu 38d4978191 Merge branch 'Temp-Dependent-BccIron-C' into 'development'
elastic constants for bcc iron

See merge request damask/DAMASK!486
2021-12-22 08:25:53 +00:00
Martin Diehl 508083082d simplified 2021-12-21 23:50:43 +01:00
Test User 3e01f72daa [skip ci] updated version information after successful test of v3.0.0-alpha5-308-gb4f3ac457 2021-12-21 22:19:29 +01:00
Sharan Roongta 32e741ae2c elastic constants for bcc iron 2021-12-21 15:54:46 +01:00