Releases: maxscheurer/cppe
Releases · maxscheurer/cppe
Test Release with new Build Infrastructure
Skbuild (#44)
* skbuild
* dynamic version, remove metadata.{hh,cc}
* adapt workflow
* working on ci
* bit less verbose
* ci
* force ninja
* add dependabot
* fix
* files for setuptools_scm
* ci
* refresh publish.yml
* add flags for visual studio compiler
* try with msvc
* auto-ize
* test verbosely
* no openmp on windows
* clang-cl w/o openmp
* dobule quotes
* quotes
* quotes
* quotes
* openmp is not the problem on windows, apparently
* install eigen
* trigger
* single quotes
* cibuildwheel
* install a recent eigen on linux
* environment
* tinker
* cancel older
* no pypy
* env vars
* env
* Add fallback version
* forward slashed
* foo
* Eigen3_ROOT
* remove continue-on-error
* reorg a bit
* reorg
* reorg
* reorg
* reorg
* dammit
* NO_EXTRAS
* auto-ize
* decltype instead of auto
* Update .github/workflows/ci.yml
* fix warning
* eigen3 path on windows
* eigen3 path on windows
* eigen3 path on windows
* setup-miniconda conf
* update checkout action
* update ci.yml
* update ci.yml
* testing command
* testing command
* non-shallow clone in ci.yml
* skip test_fields
* skip test_fields
* skip all test that use cache
* fetch eigen3 for sdist
* skip C compiler checks when fetching Eigen
* blasted eigen
* blasted eigen
* Try aarch64 ppc64le
* One job per wheel
* fix action version
* skip CPython 3.12
* chore: update action versions
* chore: update action versions
* chore: update toml and publish.yml
* fix: option available only in latest scikit-build-core
* fix: step name
* fix: skip musl, do 3.12
* chore: exclude more variants
* chore: exclude aarch64 on linux
* test: wheel upload
* test: wheel upload
* fix: use tarball for eigen
* use correct action
---------
Co-authored-by: Maximilian Scheurer <max.scheurer@me.com>
Linear-scaling FMM
This release implements the fast multipole method (FMM) for linear scaling electric field computations in CPPE (using fmmgen https://github.com/rpep/fmmgen).
Minor bugs were fixed as well, and the some convenience functions were added (EEF, etc.).
Minor patches for pip
v0.2.1 Bump version: 0.2.0 → 0.2.1
Speed-up and new Python-side options
- massive speed-up for induced moments computation (4-5x) through auto-generated T tensors (@peter-reinholdt)
PeOptionsis now retired from Python, a simpledictcan be used instead- expansion of the test suite (using polarizationsolver as reference for fields and tensors)
v0.1.3
- expose static electric fields and exclusion lists to Python
- removal of
pelibfrom build system and source code - improved specification of Python executable for CMake
v0.1.2
New feature: Thole exponential damping
v0.0.8
Bump version: 0.0.7 → 0.0.8