diff --git a/.gitmodules b/.gitmodules index 47906c66..08c43b92 100644 --- a/.gitmodules +++ b/.gitmodules @@ -17,4 +17,4 @@ [submodule "alphafold3"] path = alphafold3 url = https://github.com/KosinskiLab/alphafold3.git - branch = ap-gapped-discontinuous-chains-v3.0.2 + branch = main diff --git a/alphafold b/alphafold index af1e26b4..5bf5b9f5 160000 --- a/alphafold +++ b/alphafold @@ -1 +1 @@ -Subproject commit af1e26b4ec844054e035de2d62e3c72baef49f71 +Subproject commit 5bf5b9f57dcd0e4919f4ff368788780f30be5d5e diff --git a/alphafold3 b/alphafold3 index e3a1400c..86b9ea3f 160000 --- a/alphafold3 +++ b/alphafold3 @@ -1 +1 @@ -Subproject commit e3a1400ccc0bb2da2de19fd31cf50d088272175b +Subproject commit 86b9ea3feacc8934e6e2a581c49eb4c37a2a3d20 diff --git a/alphapulldown/utils/mmseqs_species_identifiers.py b/alphapulldown/utils/mmseqs_species_identifiers.py index 39ac232d..5525e079 100644 --- a/alphapulldown/utils/mmseqs_species_identifiers.py +++ b/alphapulldown/utils/mmseqs_species_identifiers.py @@ -388,12 +388,12 @@ def _write_identifier_rows_to_cache( def build_mmseq_identifier_features( a3m_string: str, *, - species_resolver: Callable[[Sequence[str]], dict[str, str]] = ( - resolve_species_ids_by_accession - ), + species_resolver: Callable[[Sequence[str]], dict[str, str]] | None = None, cache_path: str | None = None, expected_rows: int | None = None, ) -> dict[str, np.ndarray]: + if species_resolver is None: + species_resolver = resolve_species_ids_by_accession stripped_a3m = strip_mmseq_comment_lines(a3m_string) source_sha256 = _calculate_mmseq_source_sha256(stripped_a3m) @@ -431,9 +431,7 @@ def enrich_mmseq_feature_dict_with_identifiers( feature_dict: dict[str, np.ndarray], a3m_string: str, *, - species_resolver: Callable[[Sequence[str]], dict[str, str]] = ( - resolve_species_ids_by_accession - ), + species_resolver: Callable[[Sequence[str]], dict[str, str]] | None = None, cache_path: str | None = None, ) -> None: msa = feature_dict.get("msa") diff --git a/docker/alphafold3.dockerfile b/docker/alphafold3.dockerfile index 7901b99b..f041eedf 100644 --- a/docker/alphafold3.dockerfile +++ b/docker/alphafold3.dockerfile @@ -68,7 +68,7 @@ RUN cd /hmmer_build && \ COPY . /app/AlphaPulldown # --------------------------------------------------------------------- -# Install AlphaFold3 from its locked v3.0.2/Tokamax environment +# Install AlphaFold3 from its locked v3.0.3/Tokamax environment # --------------------------------------------------------------------- WORKDIR /app/AlphaPulldown/alphafold3 @@ -77,7 +77,8 @@ ENV PIP_INDEX_URL=${PIP_INDEX_URL} \ PIP_DEFAULT_TIMEOUT=600 \ PIP_RETRIES=10 \ PIP_NO_CACHE_DIR=1 \ - PIP_DISABLE_PIP_VERSION_CHECK=1 + PIP_DISABLE_PIP_VERSION_CHECK=1 \ + SETUPTOOLS_SCM_PRETEND_VERSION_FOR_ALPHAFOLD3=3.0.3 ENV CMAKE_BUILD_PARALLEL_LEVEL=1 ENV CFLAGS="-O2 -pipe"