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c71be9b
Add an empty metatomic-core python package, re-exporting metatomic-torch
Luthaf May 12, 2026
91a88fe
Use pathlib for all path manipulations
Luthaf May 21, 2026
7076256
Switch main test runner from tox to cargo
Luthaf May 12, 2026
b5bc3ea
Scaffold a new metatomic-core package
Luthaf May 13, 2026
e4e14bc
Draft the C API for metatomic-core
Luthaf May 27, 2026
5e5d39e
Implement PairListOptions json serialization
sofiia-chorna May 28, 2026
376fed4
Implement JSON serialization for `Quantity`
GardevoirX May 28, 2026
378ab10
Validate quantities names
Luthaf May 29, 2026
4d97e09
Implement JSON serialization for ModelMetadata
alessandroforina May 28, 2026
391b424
Add error handling based on metatensor
RMeli May 28, 2026
bf331cb
Implement mta_string_t in the C API
johannes-spies May 28, 2026
763247e
Port unit parsing from metatomic-torch
Luthaf May 29, 2026
436d783
document mta_model_t and related functions in C API
sofiia-chorna May 30, 2026
903608d
Add ModelCapabilities to the JSON structs
Luthaf May 31, 2026
dc0e4df
Implement plugin registration and loading, model loading
frostedoyster Jun 1, 2026
39241f1
Add a C model registration test
frostedoyster May 29, 2026
71fa4a9
Implement System in metatomic-core
Luthaf Jun 1, 2026
ed5d315
Implement `mta_format_metadata`
GardevoirX Jun 3, 2026
869d681
Add unit conversion and error handling to C++
RMeli Jun 2, 2026
3edfc2b
Add C++ documentation
Luthaf Jun 3, 2026
66230fd
Expose mta_model_t function in rust's Model struct
alessandroforina Jun 11, 2026
7deb720
Cleanup CMake code calling cargo
Luthaf Jun 16, 2026
6c39fcb
Re-enable Windows Rust tests
Luthaf May 28, 2026
d67b2d9
DEBUG
Luthaf Jun 19, 2026
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120 changes: 60 additions & 60 deletions .github/workflows/ase-tests.yml
Original file line number Diff line number Diff line change
@@ -1,60 +1,60 @@
name: ASE integration

on:
push:
branches: [main]
pull_request:
# Check all PR

concurrency:
group: ase-tests-${{ github.ref }}
cancel-in-progress: ${{ github.ref != 'refs/heads/main' }}

jobs:
tests:
runs-on: ubuntu-24.04
name: tests
steps:
- uses: actions/checkout@v6
with:
fetch-depth: 0

- name: setup Python
uses: actions/setup-python@v6
with:
python-version: "3.13"

- name: Setup sccache
uses: mozilla-actions/sccache-action@v0.0.10
with:
version: "v0.10.0"

- name: Setup sccache environnement variables
run: |
echo "SCCACHE_GHA_ENABLED=true" >> $GITHUB_ENV
echo "RUSTC_WRAPPER=sccache" >> $GITHUB_ENV
echo "CMAKE_C_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV
echo "CMAKE_CXX_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV

- name: install tests dependencies
run: |
python -m pip install --upgrade pip
python -m pip install tox coverage

- name: run tests
run: tox -e ase-tests
env:
PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu

- name: combine Python coverage files
shell: bash
run: |
coverage combine .tox/*/.coverage
coverage xml

- name: upload to codecov.io
uses: codecov/codecov-action@v6
with:
fail_ci_if_error: true
files: coverage.xml
token: ${{ secrets.CODECOV_TOKEN }}
# name: ASE integration

# on:
# push:
# branches: [main]
# pull_request:
# # Check all PR

# concurrency:
# group: ase-tests-${{ github.ref }}
# cancel-in-progress: ${{ github.ref != 'refs/heads/main' }}

# jobs:
# tests:
# runs-on: ubuntu-24.04
# name: tests
# steps:
# - uses: actions/checkout@v6
# with:
# fetch-depth: 0

# - name: setup Python
# uses: actions/setup-python@v6
# with:
# python-version: "3.13"

# - name: Setup sccache
# uses: mozilla-actions/sccache-action@v0.0.10
# with:
# version: "v0.10.0"

# - name: Setup sccache environnement variables
# run: |
# echo "SCCACHE_GHA_ENABLED=true" >> $GITHUB_ENV
# echo "RUSTC_WRAPPER=sccache" >> $GITHUB_ENV
# echo "CMAKE_C_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV
# echo "CMAKE_CXX_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV

# - name: install tests dependencies
# run: |
# python -m pip install --upgrade pip
# python -m pip install tox coverage

# - name: run tests
# run: tox -e ase-tests
# env:
# PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu

# - name: combine Python coverage files
# shell: bash
# run: |
# coverage combine .tox/*/.coverage
# coverage xml

# - name: upload to codecov.io
# uses: codecov/codecov-action@v6
# with:
# fail_ci_if_error: true
# files: coverage.xml
# token: ${{ secrets.CODECOV_TOKEN }}
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