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Merged
PicoCentauri merged 1 commit into from
Feb 21, 2025
Merged

Release featomic v0.6.1 #387

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2 changes: 1 addition & 1 deletion featomic-torch/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -80,7 +80,7 @@ function(check_compatible_versions _dependency_ _actual_ _requested_)
endfunction()


set(REQUIRED_FEATOMIC_VERSION "0.6.0")
set(REQUIRED_FEATOMIC_VERSION "0.6.1")
if (NOT "$ENV{FEATOMIC_NO_LOCAL_DEPS}" STREQUAL "1")
# If building a dev version, we also need to update the
# REQUIRED_FEATOMIC_VERSION in the same way we update the
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14 changes: 9 additions & 5 deletions featomic/CHANGELOG.md
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Expand Up @@ -17,19 +17,23 @@ a changelog](https://keepachangelog.com/en/1.1.0/) format. This project follows
### Removed
-->

## [Version 0.6.1](https://github.com/metatensor/featomic/releases/tag/featomic-v0.6.1) - 2025-02-21

### Fixed
- Fixed `featomic.clebsch_gordan.cartesian_to_spherical` transformation for tensors of rank greater than 2 (#371)
- Fixed the calculation of Clebsch-Gordan coefficients, used all across the `featomic.clebsch_gordan` module (#371)
- Fixed `featomic.clebsch_gordan.cartesian_to_spherical` transformation for tensors of
rank greater than 2
- Fixed the calculation of Clebsch-Gordan coefficients, used all across the
`featomic.clebsch_gordan` module

### Added

- `clebsch_gordan.EquivariantPowerSpectrumByPair` calculator for two-center equivariant
descriptors. Similar API to `clebsch_gordan.EquivariantPowerSpectrum` (#378)
- `clebsch_gordan.EquivariantPowerSpectrumByPair` calculator for two-center equivariant
descriptors. Similar API to `clebsch_gordan.EquivariantPowerSpectrum`

## [Version 0.6.0](https://github.com/metatensor/featomic/releases/tag/featomic-v0.6.0) - 2024-12-20

### Added

- Multiple atomistic features calculators with a native implementation:
- SOAP spherical expansion, radial spectrum, power spectrum and spherical
expansion for pairs of atoms;
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2 changes: 1 addition & 1 deletion featomic/Cargo.toml
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@@ -1,6 +1,6 @@
[package]
name = "featomic"
version = "0.6.0"
version = "0.6.1"
authors = ["Guillaume Fraux <guillaume.fraux@epfl.ch>"]
edition = "2021"
rust-version = "1.74"
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2 changes: 1 addition & 1 deletion featomic/tests/cmake-project/CMakeLists.txt
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Expand Up @@ -5,7 +5,7 @@ project(featomic-test-cmake-project C CXX)
# We need to update the REQUIRED_FEATOMIC_VERSION in the same way we update the
# featomic version for dev builds
include(../../cmake/dev-versions.cmake)
set(REQUIRED_FEATOMIC_VERSION "0.6.0")
set(REQUIRED_FEATOMIC_VERSION "0.6.1")
create_development_version("${REQUIRED_FEATOMIC_VERSION}" FEATOMIC_FULL_VERSION "featomic-v")
string(REGEX REPLACE "([0-9]*)\\.([0-9]*).*" "\\1.\\2" REQUIRED_FEATOMIC_VERSION ${FEATOMIC_FULL_VERSION})
find_package(featomic ${REQUIRED_FEATOMIC_VERSION} REQUIRED)
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