build: update actions to perform linting and minimal dry-run testing

.github/workflows/main.yml

@@ -6,52 +6,42 @@ on:
   pull_request:
     branches: [ main ]
 
-
 jobs:
-  Formatting:
+  tests:
     runs-on: ubuntu-latest
-    steps:
-      - uses: actions/checkout@v2
-      - name: Formatting
-        uses: github/super-linter@v4
-        env:
-          VALIDATE_ALL_CODEBASE: false
-          DEFAULT_BRANCH: main
-          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
-          VALIDATE_SNAKEMAKE_SNAKEFMT: true
+    strategy:
+      max-parallel: 5
 
-  Linting:
-    runs-on: ubuntu-latest
     steps:
     - uses: actions/checkout@v2
-    - name: Lint workflow
-      uses: snakemake/[email protected]
+    - name: Set up Python 3.11
+      uses: actions/setup-python@v2
       with:
-        directory: .
-        stagein: "pip install --no-deps -r .github/snakemake_action_requirements.txt"
-        snakefile: workflow/Snakefile
-        args: "--lint"
+        python-version: 3.11
+    - name: Add conda to system path
+      run: |
+        # $CONDA is an environment variable pointing to the root of the miniconda directory
+        echo $CONDA/bin >> $GITHUB_PATH
+    - name: Install dependencies
+      run: |
+        conda install -c conda-forge mamba
+        #    - name: Lint with flake8
+        #      run: |
+        #        mamba install flake8
+        #        # stop the build if there are Python syntax errors or undefined names
+        #        flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
+        #        # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
+        #        flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
+    - name: Setup snakemake and workflow dependencies
+      run: |
+        mamba install -c conda-forge -c bioconda pytest snakemake singularity snakefmt
+        pip install . 
+    - name: Lint with snakemake and snakefmt
+      run: |
+        snakemake --lint
+        snakefmt workflow
+    - name: Integration dry-run test
+      run: |
+        snakemake -np
 
-  Testing:
-    runs-on: ubuntu-latest
-    needs: 
-      - Linting
-      - Formatting
-    steps:
-    - uses: actions/checkout@v2
-
-    - name: Test workflow
-      uses: snakemake/[email protected]
-      with:
-        directory: .test
-        stagein: "pip install --no-deps -r .github/snakemake_action_requirements.txt"
-        snakefile: workflow/Snakefile
-        args: "--sdm apptainer --show-failed-logs --cores 1 --all-temp"
 
-    - name: Test report
-      uses: snakemake/[email protected]
-      with:
-        directory: .test
-        stagein: "pip install --no-deps -r .github/snakemake_action_requirements.txt"
-        snakefile: workflow/Snakefile
-        args: "--report report.zip"

workflow/Snakefile

@@ -1,6 +1,6 @@
 import json
-from snakebids import bids, set_bids_spec
 from pathlib import Path
+from snakebids import bids, set_bids_spec
 import pandas as pd
 import os
 
@@ -9,13 +9,13 @@ configfile: "config/config.yml"
 
 
 container: config["containers"]["spimprep"]
-conda: config["conda_envs"]["global"]
+
 
 # use expandvars so we can use e.g. '$SLURM_TMPDIR'
 root = os.path.expandvars(config["root"])
 work = os.path.expandvars(config["work"])
 
-#this is needed to use the latest bids spec with the pre-release snakebids
+# this is needed to use the latest bids spec with the pre-release snakebids
 set_bids_spec("v0_10_1")
 
 # read datasets tsv
@@ -33,89 +33,7 @@ datasets = pd.read_csv(
 )
 
 
-def get_all_targets():
-    targets = []
-    for i in range(len(datasets)):
-        targets.extend(
-            expand(
-                bids(
-                    root=root,
-                    subject="{subject}",
-                    datatype="micr",
-                    sample="{sample}",
-                    acq="{acq}",
-                    desc="{desc}",
-                    stain="{stain}",
-                    suffix="spim.ome.zarr.zip",
-                ),
-                subject=datasets.loc[i, "subject"],
-                sample=datasets.loc[i, "sample"],
-                acq=datasets.loc[i, "acq"],
-                desc=config["targets"]["desc"],
-                stain=[datasets.loc[i, "stain_0"], datasets.loc[i, "stain_1"]],
-            )
-        )
-        targets.extend(
-            expand(
-                bids(
-                    root=root,
-                    subject="{subject}",
-                    datatype="micr",
-                    sample="{sample}",
-                    acq="{acq}",
-                    desc="{desc}",
-                    from_="{template}",
-                    suffix="dseg.ome.zarr.zip",
-                ),
-                subject=datasets.loc[i, "subject"],
-                sample=datasets.loc[i, "sample"],
-                acq=datasets.loc[i, "acq"],
-                desc=config["targets"]["desc"],
-                template=config["templates"],
-                stain=[datasets.loc[i, "stain_0"], datasets.loc[i, "stain_1"]],
-            )
-        )
-        targets.extend(
-            expand(
-                bids(
-                    root=root,
-                    subject="{subject}",
-                    datatype="micr",
-                    sample="{sample}",
-                    acq="{acq}",
-                    desc="{desc}",
-                    stain="{stain}",
-                    level="{level}",
-                    suffix="spim.nii",
-                ),
-                subject=datasets.loc[i, "subject"],
-                sample=datasets.loc[i, "sample"],
-                acq=datasets.loc[i, "acq"],
-                desc=config["targets"]["desc"],
-                level=config["nifti"]["levels"],
-                stain=[datasets.loc[i, "stain_0"], datasets.loc[i, "stain_1"]],
-            )
-        )
-
-    return targets
-
-
-def get_dataset_path(wildcards):
-    df = datasets.query(
-        f"subject=='{wildcards.subject}' and sample=='{wildcards.sample}' and acq=='{wildcards.acq}'"
-    )
-    return df.dataset_path.to_list()[0]
-
-
-def get_stains(wildcards):
-    df = datasets.query(
-        f"subject=='{wildcards.subject}' and sample=='{wildcards.sample}' and acq=='{wildcards.acq}'"
-    )
-
-    return [
-        df.stain_0.to_list()[0],
-        df.stain_1.to_list()[0],
-    ]
+include: "rules/common.smk"
 
 
 rule all:

workflow/rules/atlasreg.smk

@@ -1,15 +1,16 @@
-def bids_tpl(root, template, **entities):
-    """bids() wrapper for files in tpl-template folder"""
-    return str(Path(bids(root=root, tpl=template)) / bids(tpl=template, **entities))
-
 
 rule import_anat:
     input:
         anat=lambda wildcards: config["atlases"][wildcards.template]["anat"],
     output:
         anat=bids_tpl(root=root, template="{template}", suffix="anat.nii.gz"),
     log:
-        bids_tpl(root='logs',datatype="import_anat",template="{template}", suffix="log.txt")
+        bids_tpl(
+            root="logs",
+            datatype="import_anat",
+            template="{template}",
+            suffix="log.txt",
+        ),
     shell:
         "cp {input} {output}"
 
@@ -20,7 +21,12 @@ rule import_dseg:
     output:
         dseg=bids_tpl(root=root, template="{template}", suffix="dseg.nii.gz"),
     log:
-        bids_tpl(root='logs',datatype="import_dseg",template="{template}", suffix="log.txt")
+        bids_tpl(
+            root="logs",
+            datatype="import_dseg",
+            template="{template}",
+            suffix="log.txt",
+        ),
     shell:
         "cp {input} {output}"
 
@@ -31,7 +37,9 @@ rule import_lut:
     output:
         tsv=bids_tpl(root=root, template="{template}", suffix="dseg.tsv"),
     log:
-        bids_tpl(root='logs',datatype="import_lut",template="{template}", suffix="log.txt")
+        bids_tpl(
+            root="logs", datatype="import_lut", template="{template}", suffix="log.txt"
+        ),
     script:
         "../scripts/import_labelmapper_lut.py"
 
@@ -75,7 +83,7 @@ rule affine_reg:
         ),
     log:
         bids(
-            root='logs',
+            root="logs",
             subject="{subject}",
             datatype="affine_reg",
             sample="{sample}",
@@ -129,7 +137,7 @@ rule deform_reg:
         ),
     log:
         bids(
-            root='logs',
+            root="logs",
             subject="{subject}",
             datatype="deform_reg",
             sample="{sample}",
@@ -178,7 +186,7 @@ rule resample_labels_to_zarr:
         ),
     log:
         bids(
-            root='logs',
+            root="logs",
             subject="{subject}",
             datatype="resample_labels_to_zarr",
             sample="{sample}",
@@ -187,7 +195,6 @@ rule resample_labels_to_zarr:
             space="{template}",
             suffix="log.txt",
         ),
-
     script:
         "../scripts/resample_labels_to_zarr.py"
 
@@ -234,7 +241,7 @@ rule zarr_to_ome_zarr_labels:
         "preproc"
     log:
         bids(
-            root='logs',
+            root="logs",
             subject="{subject}",
             datatype="zarr_to_ome_zarr_labels",
             sample="{sample}",