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Update BiG-SCAPE v2 dependency (#328)
* update bs2 version * change parameter to remove fasttree dependency * remove fasttree from dependencies
1 parent f534333 commit 3f46403

3 files changed

Lines changed: 12 additions & 16 deletions

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bin/install-nplinker-deps

Lines changed: 1 addition & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -144,7 +144,7 @@ echo "🔥 Start installing BigScape ..."
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[[ -d BiG-SCAPE-v2 ]] || git clone -b dev --filter=blob:limit=10m https://github.com/medema-group/BiG-SCAPE.git BiG-SCAPE-v2
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cd BiG-SCAPE-v2
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git config --ad advice.detatchedHead false
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git checkout 99a4c2e4923bb50e175b2e619c2cee0a14918789 # Commits on Jun 14, 2024
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git checkout v2.0.0-beta.5 # feb 12, 2025
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pip install click sqlalchemy pyhmmer tqdm matplotlib requests
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chmod 754 bigscape.py
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ln -sf $LIB_PATH/BiG-SCAPE-v2/bigscape.py $PY_PATH/bin/bigscape-v2.py
@@ -153,17 +153,6 @@ echo "🔥 Start installing BigScape ..."
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echo -e "✅ BigScape installed successfully\n"
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#--- Install FastTree (not support Windows, required by BigScape)
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# http://www.microbesonline.org/fasttree/
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echo "🔥 Start installing FastTree ..."
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if [[ "$OSTYPE" == "linux"* ]]; then
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$do_install fasttree
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elif [[ "$OSTYPE" == "darwin"* ]]; then
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wget -q --show-progress http://www.microbesonline.org/fasttree/FastTree.c
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$gcc -DNO_SSE -O3 -finline-functions -funroll-loops -Wall -o $PY_PATH/bin/fasttree FastTree.c -lm
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rm FastTree.c
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fi
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echo -e "✅ FastTree installed successfully\n"
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#--- Install Hmmer (required by BigScape)
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if ! command -v hmmpress &> /dev/null; then

config/nplinker.toml

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Original file line numberDiff line numberDiff line change
@@ -75,10 +75,10 @@ parameters = "version1_parameters_or_version2_parameters"
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# For version 2:
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# --------------
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# BiG-SCAPE v2 has subcommands. NPLinker requires the `cluster` subcommand and its parameters.
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# Required parameters of `cluster` subcommand are: `--mibig_version`, `--include_singletons` and `--gcf_cutoffs`.
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# DO NOT set these parameters: `--pfam_path`, `--inputdir`, `--outputdir`. NPLinker will automatically configure them.
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# Required parameters of `cluster` subcommand are: `--mibig-version`, `--include-singletons` and `--gcf-cutoffs`.
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# DO NOT set these parameters: `--pfam-path`, `--inputdir`, `--outputdir`, `--db-only-output`. NPLinker will automatically configure them.
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# BiG-SCPAPE v2 also runs a `--mix` analysis by default, so you don't need to set this parameter here.
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# An example value could be: "--mibig_version 3.1 --include_singletons --gcf_cutoffs 0.30"
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# An example value could be: "--mibig-version 3.1 --include-singletons --gcf-cutoffs 0.30"
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[gnps]
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# Settings for GNPS.

src/nplinker/genomics/bigscape/runbigscape.py

Lines changed: 8 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -95,7 +95,14 @@ def run_bigscape(
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if version == "1":
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args.extend(["--pfam_dir", PFAM_PATH])
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elif version == "2":
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args.extend(["cluster", "--pfam_path", os.path.join(PFAM_PATH, "Pfam-A.hmm")])
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args.extend(
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[
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"cluster",
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"--pfam-path",
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os.path.join(PFAM_PATH, "Pfam-A.hmm"),
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"--db-only-output",
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]
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)
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# add input and output paths. these are unchanged
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args.extend(["-i", str(antismash_path), "-o", str(output_path)])

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