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 <[email protected]>
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)
PeOptions
is now retired from Python, a simpledict
can 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
pelib
from 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