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30 Commits

Author SHA1 Message Date
Atsushi Togo 8dac418ffc Set version 3.14.1 2025-03-01 16:49:15 +09:00
Atsushi Togo 482aec7bd8 Set version 3.14.0 2025-02-07 18:39:22 +09:00
Atsushi Togo 4144d97eb4 Update phonopy version dependency 2025-02-05 12:03:06 +09:00
Atsushi Togo c4818e9ea2 Set version 3.12.1 2025-01-28 09:08:36 +09:00
Atsushi Togo 5f281b6534 Update phonopy version dependency 2025-01-01 15:14:35 +09:00
Atsushi Togo be5d2dd30c Set BUILD_WITHOUT_LAPACKE=ON as default 2024-12-23 14:17:06 +09:00
Atsushi Togo 3c42156ae3 Update phonopy version dependency 2024-12-12 12:46:09 +09:00
Atsushi Togo 0e272b6beb Set version 3.9.0 2024-12-06 08:29:46 +09:00
Atsushi Togo 34c81890b8 Minor change of MLP command line interface 2024-12-06 08:23:57 +09:00
Atsushi Togo d56960a89a Set version 3.8.0 2024-11-25 13:40:01 +09:00
Atsushi Togo 232f22318c Option to run without linking BLAS and LAPACK in C 2024-11-23 20:36:37 +09:00
Atsushi Togo 8973ca2090 Update following the change of phonopy's get_fc2 2024-11-10 15:49:46 +09:00
Atsushi Togo bbaa1cdd47 Update phonopy version dependenty 2024-10-29 10:13:42 +09:00
Atsushi Togo 704de3e4d0 Set version 3.5.0 2024-09-13 15:09:53 +09:00
Atsushi Togo b49f55d306 Set version 3.4 2024-08-23 22:22:28 +09:00
Atsushi Togo 1fc542fc8f Set version 3.3.0 2024-07-08 17:00:43 +09:00
Atsushi Togo 5df6b5b551 Add PHONO3PY_USE_OMP option for build 2024-07-08 11:19:55 +09:00
Atsushi Togo f502046647 Under migration from _phono3py.c to _phono3py.cpp 2024-07-08 10:14:03 +09:00
Atsushi Togo 97bccb9ea8 Start migration from _phono3py.c to _phono3py.cpp 2024-07-07 12:43:00 +09:00
Atsushi Togo 57d863f73c Updats github workflows 2024-07-07 11:52:56 +09:00
Atsushi Togo 2b5b6f6d0b Initial attempt to migrate to nanobind 2024-07-07 10:55:19 +09:00
Atsushi Togo 20a4021fd7 Update pypolymlp feature 2024-06-28 15:45:12 +09:00
Atsushi Togo 7a83fdfb32 Migrate to ruff 2024-06-21 13:49:24 +09:00
Atsushi Togo 756ada6e07 Change of build system using cmake 
Following issue#99, attempting changing build system.
This commit includes the build system by combination with cmake.
 2022-08-28 07:59:41 +09:00
Atsushi Togo d0a5adbc03 Remove [project] section from pyproject.toml 2022-03-25 08:42:01 +09:00
Atsushi Togo 1ee285ffd7 Set requires-python >=3.7 in pyproject.toml 2022-03-25 08:31:49 +09:00
Nick Papior 3635eca7be enh: major refactoring of setup.py 
Instead of manually adding compilers and flags it is
now left to the user to create the appropriate site.cfg
for configuration purposes.

This is much cleaner and provides users to fully customize the build.

This also enables pip installs, for instance I can build:

   pip3 install . -vvv

Which works.
In order for pip to fully function with the numpy versions it
is important that pip uses the oldest possible numpy version
that may be pip installed. This is what oldest-supported-numpy
is for.

The PHPYOPENMP flag is not needed. The OPENMP specification states
that any C-compiler which implements preprocessor statements should
include _OPENMP when compiling with OPENMP. Therefore we simply check
for this now. I don't know of any compilers that do not define this
flag while compiling for openmp.

When retrieving MKL from numpy there is an additional macro defined:
  SCIPY_MKL_H
so now the code checks for either this macro, or the old one (MKL_LAPACKE).

I have removed support for distutils. It is far deprecated and no installations
should use this one. So better to not rely on it.
In fact it was never used since pyproject.toml had setuptools as a requirement for
building the package. So it couldn't be used in these environments in
any case.

If this is to be adopted, then the installation documentation should be updated.
 2021-12-07 10:18:55 +01:00
Atsushi Togo 53c90add93 Introduce isort 2021-10-23 11:35:40 +09:00
Atsushi Togo 1cc5e03c27 Refactoring using pre-commit setting 2021-10-15 16:49:41 +09:00
Florian Knoop 37574e7b41 add pyproject.toml for build dependency management 2019-08-01 13:52:35 +02:00