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Releases: maxscheurer/cppe

Test Release with new Build Infrastructure

01 Aug 08:08
1d2d0be
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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 <[email protected]>

Linear-scaling FMM

29 Oct 21:38
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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

07 Jun 15:26
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v0.2.1

Bump version: 0.2.0 → 0.2.1

Speed-up and new Python-side options

06 Jun 12:57
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  • massive speed-up for induced moments computation (4-5x) through auto-generated T tensors (@peter-reinholdt)
  • PeOptions is now retired from Python, a simple dict can be used instead
  • expansion of the test suite (using polarizationsolver as reference for fields and tensors)

v0.1.3

08 Dec 18:19
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  • expose static electric fields and exclusion lists to Python
  • removal of pelib from build system and source code
  • improved specification of Python executable for CMake

v0.1.2

30 Sep 17:55
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New feature: Thole exponential damping

v0.0.8

22 Jul 11:40
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v0.0.8 Pre-release
Pre-release
Bump version: 0.0.7 → 0.0.8