diff --git a/.github/workflows/test.yaml b/.github/workflows/test.yaml index 0e0db7c..a920756 100644 --- a/.github/workflows/test.yaml +++ b/.github/workflows/test.yaml @@ -12,16 +12,16 @@ jobs: name: "Run test across all Python versions" strategy: matrix: - environment: [py310, py311, py312] + environment: [py310, py311, py312, py313] steps: - name: Check out uses: actions/checkout@v4 with: fetch-depth: 0 - name: Setup pixi - uses: prefix-dev/setup-pixi@v0.9.3 + uses: prefix-dev/setup-pixi@v0.9.4 with: - pixi-version: v0.62.1 + pixi-version: v0.63.2 cache: true environments: ${{ matrix.environment }} - name: Test diff --git a/pixi.lock b/pixi.lock index 8c83d85..b28eb99 100644 --- a/pixi.lock +++ b/pixi.lock @@ -13,230 +13,195 @@ environments: - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2 - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_gnu.tar.bz2 - conda: https://conda.anaconda.org/conda-forge/noarch/argcomplete-3.6.3-pyhd8ed1ab_0.conda - 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sha256: 5a56ba0db2d244117ed744dfa8f6f5b366e14148e00de44723413b2f3938a902 + sha256: 8e735494da3db08694d26480f1493ad2cf86e99bdd53e8e9771b2752a5c0246a requires_dist: - cffi~=1.17 ; python_full_version < '3.14' and platform_python_implementation != 'PyPy' and extra == 'cffi' - cffi>=2.0.0b0 ; python_full_version >= '3.14' and platform_python_implementation != 'PyPy' and extra == 'cffi' diff --git a/pixi.toml b/pixi.toml index 8112ccc..f518399 100644 --- a/pixi.toml +++ b/pixi.toml @@ -3,16 +3,15 @@ name = "genvarloader" channels = ["conda-forge", "bioconda"] platforms = ["linux-64"] -[activation.env] -LD_LIBRARY_PATH = "$CONDA_PREFIX/lib" - [environments] +default = { features = ["default", "py310"] } dev = { features = ["pytorch-cpu", "basenji2", "py310"] } docs = { features = ["docs", "pytorch-cpu", "basenji2", "py312"] } docs-gpu = { features = ["docs", "pytorch-gpu", "basenji2", "py312"] } py310 = { features = ["pytorch-cpu", "py310"] } py311 = { features = ["pytorch-cpu", "py311"] } py312 = { features = ["pytorch-cpu", "py312"] } +py313 = { features = ["pytorch-cpu", "py313"] } no-torch = { features = ["py310"] } demo = { features = ["demo", "py310"] } @@ -22,47 +21,22 @@ samtools = "*" bcftools = "*" plink2 = "*" ruff = "*" -pre-commit = "*" +prek = "*" commitizen = "*" -pyarrow = "<22" maturin = ">=1.6,<2" typing-extensions = ">=4.14" - -[pypi-dependencies] -genvarloader = { path = ".", editable = true } -hirola = "==0.3" -seqpro = "==0.9.0" -genoray = "==1.0.1" -numba = ">=0.58.1" -polars = "==1.30.0" -loguru = "*" -attrs = "*" -natsort = "*" -cyvcf2 = "*" -pgenlib = "*" -pandera = "*" -pysam = "*" -pyranges = "*" -more-itertools = "*" -tqdm = "*" -pybigwig = "*" -einops = "*" -tbb = "*" -joblib = "*" -pooch = "*" -awkward = "*" +typer = "*" +pytest-cases = "*" +pytest-cov = "*" +pytest-benchmark = "*" pytest = "*" memray = "*" py-spy = "*" icecream = "*" -pydantic = ">=2,<3" -pytest-cases = "*" -pytest-cov = "*" -pytest-benchmark = "*" -hypothesis = "*" -filelock = "*" patchelf = "*" -typer = "*" + +[pypi-dependencies] +genvarloader = { path = ".", editable = true } [feature.docs.dependencies] sphinx = ">=7.4.7" @@ -88,6 +62,35 @@ basenji2-pytorch = ">=0.1.2" [feature.py310.dependencies] python = "3.10.*" +numpy = "<2" + +[feature.py310.pypi-dependencies] +numpy = "==1.26.*" +numba = "==0.59.1" +pyarrow = ">=21" +hirola = "==0.3" +seqpro = "==0.9.0" +genoray = "==2.1.1" +polars = "==1.37.1" +loguru = "*" +attrs = "*" +natsort = "*" +cyvcf2 = "*" +pgenlib = "*" +pandera = "*" +pysam = "*" +pyranges = "*" +more-itertools = "*" +tqdm = "*" +pybigwig = "*" +einops = "*" +tbb = "*" +joblib = "*" +pooch = "*" +awkward = "*" +pydantic = ">=2,<3" +hypothesis = "*" +filelock = "*" [feature.py311.dependencies] python = "3.11.*" @@ -95,8 +98,15 @@ python = "3.11.*" [feature.py312.dependencies] python = "3.12.*" +[feature.py313.dependencies] +python = "3.13.*" +numpy = "<2.3" + +[feature.py313.pypi-dependencies] +numba = "==0.61.2" + [tasks] -pre-commit = "pre-commit install --hook-type commit-msg --hook-type pre-push" +prek-install = "prek install --hook-type commit-msg --hook-type pre-push" gen = { cmd = "python tests/data/generate_ground_truth.py" } test = { cmd = "pytest tests && cargo test --release", depends-on = ["gen"] } diff --git a/pyproject.toml b/pyproject.toml index cd6dcf7..76ddc37 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -8,13 +8,13 @@ authors = [ ] readme = "README.md" license = { file = "LICENSE.txt" } -requires-python = ">=3.10,<3.13" # >= 3.13 blocked by cyvcf2 +requires-python = ">=3.10,<3.14" # >= 3.14 blocked by pyarrow/genoray dependencies = [ - "numba>=0.58.1", + "numba>=0.59.1", "loguru", "attrs", "natsort", - "polars>=1.30", + "polars>=1.37.1", "cyvcf2", "pandera", "pysam", @@ -31,7 +31,7 @@ dependencies = [ "awkward", "hirola>=0.3,<0.4", "seqpro>=0.9", - "genoray>=1.0.1,<2", + "genoray>=2.1.1,<3", ] [project.urls] diff --git a/python/genvarloader/_dataset/_rag_variants.py b/python/genvarloader/_dataset/_rag_variants.py index 15e8102..c28ffdf 100644 --- a/python/genvarloader/_dataset/_rag_variants.py +++ b/python/genvarloader/_dataset/_rag_variants.py @@ -15,7 +15,7 @@ ) from genoray._types import DOSAGE_TYPE, POS_TYPE, V_IDX_TYPE from numpy.typing import NDArray -from seqpro.rag import OFFSET_TYPE, Ragged, lengths_to_offsets +from seqpro.rag import OFFSET_TYPE, Ragged, is_rag_dtype, lengths_to_offsets from typing_extensions import Self from .._ragged import reverse_complement @@ -32,8 +32,9 @@ class RaggedVariant(ak.Record): class RaggedVariants(ak.Array): - """An awkward record array, typically with shape (batch, ploidy, ~variants). - Guaranteed to at least have the field "alt" and "start" and one of "ref" or "ilen".""" + """An awkward record array with shape :code:`(batch, ploidy, ~variants, [~length])`. + Guaranteed to at least have the field :code:`"alt"` and :code:`"start"` and one of :code:`"ref"` or :code:`"ilen"`. + """ def __init__( self, @@ -179,8 +180,8 @@ def infer_germline_ccfs_( raise ValueError(f"Cannot infer germline CCFs without {ccf_field}.") ccfs = self[ccf_field] - if not isinstance(ccfs, Ragged): - raise ValueError(f"{ccf_field} must be a Ragged array.") + if not isinstance(ccfs, Ragged) or not is_rag_dtype(ccfs, DOSAGE_TYPE): + raise ValueError(f"{ccf_field} must be a Ragged array of {DOSAGE_TYPE}.") _infer_germline_ccfs( ccfs.data, diff --git a/python/genvarloader/_dataset/_reconstruct.py b/python/genvarloader/_dataset/_reconstruct.py index 4facf1c..ce86c5f 100644 --- a/python/genvarloader/_dataset/_reconstruct.py +++ b/python/genvarloader/_dataset/_reconstruct.py @@ -16,6 +16,7 @@ from einops import repeat from genoray._svar import SparseDosages, SparseGenotypes from genoray._types import DOSAGE_TYPE, POS_TYPE, V_IDX_TYPE +from genoray.exprs import ILEN from loguru import logger from numpy.typing import NDArray from packaging.version import Version @@ -67,6 +68,13 @@ def from_table(cls, path: str | Path, one_based: bool = True): """ path = Path(path).resolve() variants = pl.read_ipc(path, memory_map=False) + if variants.schema["ALT"] == pl.List(pl.Utf8): + ilen = ILEN + else: + ilen = pl.col("ALT").str.len_bytes().cast(pl.Int32) - pl.col( + "REF" + ).str.len_bytes().cast(pl.Int32) + variants = variants.with_columns(ILEN=ilen) is_list_type = [ col for col in ("ALT", "ILEN") if variants[col].dtype == pl.List ] diff --git a/python/genvarloader/_dataset/_reference.py b/python/genvarloader/_dataset/_reference.py index 39c88c1..d39417d 100644 --- a/python/genvarloader/_dataset/_reference.py +++ b/python/genvarloader/_dataset/_reference.py @@ -158,7 +158,7 @@ def _fetch_impl( for i in nb.prange(len(c_idxs)): r_s, r_e = ref_offsets[c_idxs[i]], ref_offsets[c_idxs[i] + 1] o_s, o_e = out_offsets[i], out_offsets[i + 1] - out[o_s:o_e] = padded_slice(reference[r_s:r_e], starts[i], ends[i], pad_char) + padded_slice(reference[r_s:r_e], starts[i], ends[i], pad_char, out[o_s:o_e]) return out @@ -507,7 +507,7 @@ def get_reference( c_idx, start, end = regions[i, :3] c_s = ref_offsets[c_idx] c_e = ref_offsets[c_idx + 1] - out[o_s:o_e] = padded_slice(reference[c_s:c_e], start, end, pad_char) + padded_slice(reference[c_s:c_e], start, end, pad_char, out[o_s:o_e]) return out diff --git a/python/genvarloader/_dataset/_utils.py b/python/genvarloader/_dataset/_utils.py index 6cf44c7..93657a6 100644 --- a/python/genvarloader/_dataset/_utils.py +++ b/python/genvarloader/_dataset/_utils.py @@ -16,11 +16,8 @@ def padded_slice( start: int, stop: int, pad_val: int, - out: NDArray[DTYPE] | None = None, + out: NDArray[DTYPE], ) -> NDArray[DTYPE]: - if out is None: - out = np.empty(stop - start, arr.dtype) - if start >= stop: return out elif stop < 0: diff --git a/python/genvarloader/_dataset/_write.py b/python/genvarloader/_dataset/_write.py index 405e9ae..e3a1d33 100644 --- a/python/genvarloader/_dataset/_write.py +++ b/python/genvarloader/_dataset/_write.py @@ -248,18 +248,18 @@ def _write_from_vcf(path: Path, bed: pl.DataFrame, vcf: VCF, max_mem: int): if vcf._index is None: if not vcf._valid_index(): logger.info("VCF genoray index is invalid, writing") - vcf._write_gvi_index(progress=True) + vcf._write_gvi_index() vcf._load_index() assert vcf._index is not None - if vcf._index.df.select((pl.col("ALT").list.len() > 1).any()).item(): + if vcf._index.select((pl.col("ALT").list.len() > 1).any()).item(): raise ValueError( "VCF with filtering applied still contains multi-allelic variants. Please filter or split them." ) - shutil.copy(vcf._index_path(), out_dir / "variants.arrow") + (out_dir / "variants.arrow").hardlink_to(vcf._index_path()) unextended_var_idxs: dict[str, list[NDArray[V_IDX_TYPE]]] = {} for (contig,), df in bed.partition_by( @@ -368,7 +368,7 @@ def _write_from_pgen(path: Path, bed: pl.DataFrame, pgen: PGEN, max_mem: int): out_dir = path / "genotypes" out_dir.mkdir(parents=True, exist_ok=True) - shutil.copy(pgen._index_path(), out_dir / "variants.arrow") + (out_dir / "variants.arrow").hardlink_to(pgen._index_path()) pbar = tqdm(total=bed.height, unit=" region") @@ -459,7 +459,7 @@ def _write_from_svar( with open(out_dir / "svar_meta.json", "w") as f: json.dump({"shape": offsets.shape, "dtype": offsets.dtype.str}, f) - v_ends = svar.var_table.select( + v_ends = svar.index.select( end=pl.col("POS") - pl.col("ILEN").list.first().clip(upper_bound=0) )["end"].to_numpy() max_ends = np.empty(bed.height, np.int32) diff --git a/tests/test_ref_ds.py b/tests/test_ref_ds.py index 18aa207..b89dbbb 100644 --- a/tests/test_ref_ds.py +++ b/tests/test_ref_ds.py @@ -94,5 +94,6 @@ def padded_slice_pad_both(): def test_padded_slice( arr: np.ndarray, start: int, stop: int, pad_val: int, desired: np.ndarray ): - actual = padded_slice(arr, start, stop, pad_val) + actual = np.empty_like(desired) + padded_slice(arr, start, stop, pad_val, actual) np.testing.assert_equal(actual, desired)