8e138161af
add more thorough checks on Fortran and MPI support for Fortran.
...
also works around issue with GNU Fortran 12 and later
2023-01-13 11:02:24 -05:00
b79f08b8d5
fix logic bug
2022-12-20 07:10:28 -05:00
9e45fba4c4
skip test where it causes an internal compiler error
2022-12-20 06:34:00 -05:00
126f597e71
need no longer need to Fortran MPI library
2022-12-11 18:02:49 -05:00
c0a39dc7b8
add c wrapper to allow testing fortran interface w/o fortran MPI libs
2022-12-11 18:00:35 -05:00
5f9956405a
Updated docs and wrote unit tests for lmp_set_fix_external_callback; fixed typos
2022-11-29 15:37:15 -06:00
c214a81526
increase portability and standard conformance
2022-10-31 13:05:53 -04:00
e68efc039f
Resolved merging conflicts in three files
2022-10-25 14:37:33 -05:00
785b46e57b
Implemented lmp_gather_bonds, lmp_find_*_neighlist, lmp_neighlist_num_elements, and their unit tests and documentation
2022-10-24 01:00:48 -05:00
60318a5a26
Refactor Fortran properties test into configuration; implemented several configuration functions and wrote unit tests for them; implemented missing unit tests
2022-10-20 20:24:59 -05:00
9a732ba513
Fortran implementation of create_atoms + unittests
2022-10-19 09:56:54 -05:00
d8ab00ea78
add CMake check that will refuse compilation of unit tests or skip tests
...
This is mainly because the default compilers on RHEL/CentOS 7.x are
not sufficient to compile googletest. Also some Fortran module test
requires a working F90 module and others are more recent Fortran compiler.
2022-10-17 18:11:30 -04:00
af3d618f47
complete implementation of looking up last error message and include test
2022-10-03 23:18:44 -04:00
c5c21bb36c
Implemented, tested, and documented gather_atoms and variants; added RST docs for lammps_scatter_atoms and lammps_gather_atoms and variants (library.cpp); checked for missing atom map in lammps_gather_atoms_subset; fixed bug in keepstuff.f90; fixed docs for extract_variable
2022-10-02 15:28:10 -05:00
a323e09822
Merge branch 'lammps:develop' into fortran-further-tinkering
2022-09-30 19:40:32 -05:00
8ee17edcab
Implemented more unit tests; stuck on atomfile
2022-09-29 23:39:39 -05:00
a7071fea78
Wrote docs for extract_fix,extract_variable; fixed python so it knows about string variables; doc typo fixes; part of extract_variable unit test
2022-09-29 19:28:15 -05:00
1d4297e2dd
Implemented extract_fix, extract_variable, flush_buffers; unit test for extract_fix
2022-09-28 22:09:26 -05:00
7fe9d087db
move reusable fortran modules to keep data to a separate file
2022-09-27 14:01:01 -04:00
26e269aacd
continued ork on extract_compute unit tests
2022-09-24 12:04:27 -05:00
69627eee8d
Merged with fortran-tinkering
2022-09-23 22:11:24 -05:00
0f2a7d3f33
Merge branch 'develop' into fortran-tinkering
2022-09-23 12:41:39 -04:00
aff5200ded
Implemented extract_atom, updated docs, added some unit tests
2022-09-22 19:16:15 -05:00
72fab8d5f5
must depend on libflammps so that there is no race condition
2022-09-18 16:35:28 -04:00
72573987fa
I wrote unit tests for all the Fortran interface commands in this pull request
2022-09-14 21:07:32 -05:00
56304fe939
move check for Fortran Compiler validity
2022-09-13 11:24:20 -04:00
7a97b25c8d
must link with -lgfortran when using flang
2022-09-12 17:02:06 -04:00
a9aa462a60
use alternate way to incorporate the module via "include" in the source code
2022-08-06 18:47:31 -04:00
801d59a9ac
correct MPI detection for Fortran
2022-08-06 18:46:56 -04:00
cf942e7d5f
may check for MPI library Fortran support only if MPI is enabled
2022-06-23 15:54:04 -04:00
6475d4b956
Skip Fortran unittests if no Fortran MPI support is found
2022-05-18 07:16:16 -04:00
d62e25decc
don't specify default working directory for tests explicitly
2022-01-29 11:10:23 -05:00
7978bf671d
use canonical syntax for adding tests
2022-01-28 21:12:13 -05:00
ad81dd3960
recover original new style library target names through ALIAS library definitions
2021-10-22 08:23:49 -04:00
84c945f7fb
Use multi-config compatible way to integrate googletest for unit testing
2021-09-11 04:50:04 -04:00
95f713bd38
skip testing the fortran module if CMake cannot identify the fortran compiler
...
this avoids compilation failure with the new llvm based flang (aka f18)
2021-06-21 17:25:29 -04:00
ba854ec7c3
changes required to cross-compile unit tests for windows
2021-05-23 01:46:14 -04:00
c50a82af78
apply consistent naming scheme for tester source files and executables
2020-09-01 20:16:39 -04:00
e44707d5e1
add unittest support for the fortran interface to LAMMPS
2020-08-28 20:56:52 -04:00
