feat: added tmpdir to all GATK wrappers, plus some doc changes

bio/gatk/applybqsr/environment.yaml

@@ -3,6 +3,6 @@ channels:
   - conda-forge
   - defaults
 dependencies:
-  - gatk4 ==4.1.4.1
+  - gatk4 =4.2
   - openjdk =8
-  - snakemake-wrapper-utils ==0.1.3
+  - snakemake-wrapper-utils =0.3

bio/gatk/applybqsr/meta.yaml

@@ -5,13 +5,14 @@ authors:
   - Christopher Schröder
   - Johannes Köster
   - Jake VanCampen
+  - Filipe G. Vieira
 input:
-  - bam file
-  - fasta reference
+  - BAM file
+  - FASTA reference
   - recalibration table for the bam
 output:
   - recalibrated bam file
 notes: |
   * The `java_opts` param allows for additional arguments to be passed to the java compiler, e.g. "-XX:ParallelGCThreads=10" (not for `-XmX` or `-Djava.io.tmpdir`, since they are handled automatically).
-  * The `extra` param allows for additional program arguments for ApplyBSQR.
+  * The `extra` param allows for additional program arguments.
   * For more information see, https://gatk.broadinstitute.org/hc/en-us/articles/360037055712-ApplyBQSR

bio/gatk/applybqsr/test/Snakefile

@@ -3,15 +3,15 @@ rule gatk_applybqsr:
         bam="mapped/{sample}.bam",
         ref="genome.fasta",
         dict="genome.dict",
-        recal_table="recal/{sample}.grp"
+        recal_table="recal/{sample}.grp",
     output:
-        bam="recal/{sample}.bam"
+        bam="recal/{sample}.bam",
     log:
-        "logs/gatk/gatk_applybqsr/{sample}.log"
+        "logs/gatk/gatk_applybqsr/{sample}.log",
     params:
         extra="",  # optional
-        java_opts="", # optional
+        java_opts="",  # optional
     resources:
-        mem_mb=1024
+        mem_mb=1024,
     wrapper:
         "master/bio/gatk/applybqsr"

bio/gatk/applybqsr/wrapper.py

@@ -4,16 +4,23 @@
 __license__ = "MIT"
 
 
+import tempfile
 from snakemake.shell import shell
 from snakemake_wrapper_utils.java import get_java_opts
 
 extra = snakemake.params.get("extra", "")
 java_opts = get_java_opts(snakemake)
 
 log = snakemake.log_fmt_shell(stdout=True, stderr=True, append=True)
-shell(
-    "gatk --java-options '{java_opts}' ApplyBQSR {extra} "
-    "-R {snakemake.input.ref} -I {snakemake.input.bam} "
-    "--bqsr-recal-file {snakemake.input.recal_table} "
-    "-O {snakemake.output.bam} {log}"
-)
+
+with tempfile.TemporaryDirectory() as tmpdir:
+    shell(
+        "gatk --java-options '{java_opts}' ApplyBQSR"
+        " --input {snakemake.input.bam}"
+        " --bqsr-recal-file {snakemake.input.recal_table}"
+        " --reference {snakemake.input.ref}"
+        " {extra}"
+        " --tmp-dir {tmpdir}"
+        " --output {snakemake.output.bam}"
+        " {log}"
+    )

bio/gatk/applybqsrspark/environment.yaml

@@ -5,4 +5,4 @@ channels:
 dependencies:
   - gatk4 =4.2
   - openjdk =8
-  - snakemake-wrapper-utils =0.1.3
+  - snakemake-wrapper-utils =0.3

bio/gatk/applybqsrspark/test/Snakefile

@@ -3,18 +3,18 @@ rule gatk_applybqsr_spark:
         bam="mapped/{sample}.bam",
         ref="genome.fasta",
         dict="genome.dict",
-        recal_table="recal/{sample}.grp"
+        recal_table="recal/{sample}.grp",
     output:
-        bam="recal/{sample}.bam"
+        bam="recal/{sample}.bam",
     log:
-        "logs/gatk/gatk_applybqsr_spark/{sample}.log"
+        "logs/gatk/gatk_applybqsr_spark/{sample}.log",
     params:
         extra="",  # optional
-        java_opts="", # optional
+        java_opts="",  # optional
         #spark_runner="",  # optional, local by default
         #spark_master="",  # optional
         #spark_extra="", # optional
     resources:
-        mem_mb=1024
+        mem_mb=1024,
     wrapper:
         "master/bio/gatk/applybqsrspark"

bio/gatk/applybqsrspark/wrapper.py

@@ -24,11 +24,14 @@
     tmpdir_shards = Path(tmpdir) / "shards_{:06d}".format(random.randrange(10 ** 6))
 
     shell(
-        "gatk --java-options '{java_opts}' ApplyBQSRSpark {extra} "
-        "--reference {snakemake.input.ref} --input {snakemake.input.bam} "
-        "--bqsr-recal-file {snakemake.input.recal_table} "
-        "--tmp-dir {tmpdir} --output-shard-tmp-dir {tmpdir_shards} "
-        "--output {snakemake.output.bam} "
-        "-- --spark-runner {spark_runner} --spark-master {spark_master} {spark_extra} "
-        "{log}"
+        "gatk --java-options '{java_opts}' ApplyBQSRSpark"
+        " --input {snakemake.input.bam}"
+        " --bqsr-recal-file {snakemake.input.recal_table}"
+        " --reference {snakemake.input.ref}"
+        " {extra}"
+        " --tmp-dir {tmpdir}"
+        " --output-shard-tmp-dir {tmpdir_shards}"
+        " --output {snakemake.output.bam}"
+        " -- --spark-runner {spark_runner} --spark-master {spark_master} {spark_extra}"
+        " {log}"
     )

bio/gatk/applyvqsr/environment.yaml

@@ -3,5 +3,5 @@ channels:
   - conda-forge
   - defaults
 dependencies:
-  - gatk4 ==4.2.0.0
-  - snakemake-wrapper-utils ==0.1.3
+  - gatk4 =4.2
+  - snakemake-wrapper-utils =0.3

bio/gatk/applyvqsr/meta.yaml

@@ -3,13 +3,14 @@ description: |
   Run gatk ApplyVQSR.
 authors:
   - Brett Copeland
+  - Filipe G. Vieira
 input:
   - VCF file
   - Recalibration file
   - Tranches file
 output:
   - Variant QualityScore-Recalibrated VCF
 notes: |
-  * The `java_opts` param allows for additional arguments to be passed to the java compiler, e.g. "-Xmx4G" for one, and "-Xmx4G -XX:ParallelGCThreads=10" for two options.
+  * The `java_opts` param allows for additional arguments to be passed to the java compiler, e.g. "-XX:ParallelGCThreads=10" (not for `-XmX` or `-Djava.io.tmpdir`, since they are handled automatically).
   * The `extra` param allows for additional program arguments.
   * For more information, see https://gatk.broadinstitute.org/hc/en-us/articles/360037226332-ApplyVQSR

bio/gatk/applyvqsr/test/Snakefile

@@ -1,17 +1,17 @@
 rule apply_vqsr:
     input:
         vcf="test.vcf",
-	recal="snps.recal",
-	tranches="snps.tranches",
-	ref="ref.fasta"
+        recal="snps.recal",
+        tranches="snps.tranches",
+        ref="ref.fasta",
     output:
-        vcf="test.snp_recal.vcf"
+        vcf="test.snp_recal.vcf",
     log:
-        "logs/gatk/applyvqsr.log"
+        "logs/gatk/applyvqsr.log",
     params:
         mode="SNP",  # set mode, must be either SNP, INDEL or BOTH
-        extra="" # optional
+        extra="",  # optional
     resources:
-        mem_mb=50
+        mem_mb=50,
     wrapper:
-    	"master/bio/gatk/applyvqsr"
+        "master/bio/gatk/applyvqsr"

bio/gatk/applyvqsr/wrapper.py

@@ -5,20 +5,25 @@
 
 
 import os
-
+import tempfile
 from snakemake.shell import shell
 from snakemake_wrapper_utils.java import get_java_opts
 
 
 extra = snakemake.params.get("extra", "")
 java_opts = get_java_opts(snakemake)
 log = snakemake.log_fmt_shell(stdout=True, stderr=True)
-shell(
-    "gatk --java-options '{java_opts}' ApplyVQSR {extra} "
-    "-R {snakemake.input.ref} -V {snakemake.input.vcf} "
-    "--recal-file {snakemake.input.recal} "
-    "--tranches-file {snakemake.input.tranches} "
-    "-mode {snakemake.params.mode} "
-    "--output {snakemake.output.vcf} "
-    "{log}"
-)
+
+with tempfile.TemporaryDirectory() as tmpdir:
+    shell(
+        "gatk --java-options '{java_opts}' ApplyVQSR"
+        " --variant {snakemake.input.vcf}"
+        " --recal-file {snakemake.input.recal}"
+        " --reference {snakemake.input.ref}"
+        " --tranches-file {snakemake.input.tranches}"
+        " --mode {snakemake.params.mode}"
+        " {extra}"
+        " --tmp-dir {tmpdir}"
+        " --output {snakemake.output.vcf}"
+        " {log}"
+    )

bio/gatk/baserecalibrator/environment.yaml

@@ -3,6 +3,6 @@ channels:
   - conda-forge
   - defaults
 dependencies:
-  - gatk4 ==4.1.4.1
+  - gatk4 =4.2
   - openjdk =8
-  - snakemake-wrapper-utils ==0.1.3
+  - snakemake-wrapper-utils =0.3

bio/gatk/baserecalibrator/meta.yaml

@@ -5,14 +5,15 @@ authors:
   - Christopher Schröder
   - Johannes Köster
   - Jake VanCampen
+  - Filipe G. Vieira
 input:
   - bam file
   - fasta reference
   - vcf.gz of known variants 
 output:
   - recalibration table for the bam
 notes: |
-  * The `java_opts` param allows for additional arguments to be passed to the java compiler, e.g. "-Xmx4G" for one, and "-Xmx4G -XX:ParallelGCThreads=10" for two options.
+  * The `java_opts` param allows for additional arguments to be passed to the java compiler, e.g. "-XX:ParallelGCThreads=10" (not for `-XmX` or `-Djava.io.tmpdir`, since they are handled automatically).
   * The `extra` param allows for additional program arguments.
   * For more information see, https://software.broadinstitute.org/gatk/documentation/article?id=11050
 

bio/gatk/baserecalibrator/test/Snakefile

@@ -3,19 +3,15 @@ rule gatk_baserecalibrator:
         bam="mapped/{sample}.bam",
         ref="genome.fasta",
         dict="genome.dict",
-        known="dbsnp.vcf.gz"  # optional known sites - single or a list
+        known="dbsnp.vcf.gz",  # optional known sites - single or a list
     output:
-        recal_table="recal/{sample}.grp"
+        recal_table="recal/{sample}.grp",
     log:
-        "logs/gatk/baserecalibrator/{sample}.log"
+        "logs/gatk/baserecalibrator/{sample}.log",
     params:
         extra="",  # optional
-        java_opts="", # optional
-    # optional specification of memory usage of the JVM that snakemake will respect with global
-    # resource restrictions (https://snakemake.readthedocs.io/en/latest/snakefiles/rules.html#resources)
-    # and which can be used to request RAM during cluster job submission as `{resources.mem_mb}`:
-    # https://snakemake.readthedocs.io/en/latest/executing/cluster.html#job-properties
+        java_opts="",  # optional
     resources:
-        mem_mb=1024
+        mem_mb=1024,
     wrapper:
         "master/bio/gatk/baserecalibrator"

bio/gatk/baserecalibrator/wrapper.py

@@ -4,6 +4,7 @@
 __license__ = "MIT"
 
 
+import tempfile
 from snakemake.shell import shell
 from snakemake_wrapper_utils.java import get_java_opts
 
@@ -17,8 +18,14 @@
         known = [known]
     known = list(map("--known-sites {}".format, known))
 
-shell(
-    "gatk --java-options '{java_opts}' BaseRecalibrator {extra} "
-    "-R {snakemake.input.ref} -I {snakemake.input.bam} "
-    "-O {snakemake.output.recal_table} {known} {log}"
-)
+with tempfile.TemporaryDirectory() as tmpdir:
+    shell(
+        "gatk --java-options '{java_opts}' BaseRecalibrator"
+        " --input {snakemake.input.bam}"
+        " --reference {snakemake.input.ref}"
+        " {known}"
+        " {extra}"
+        " --tmp-dir {tmpdir}"
+        " --output {snakemake.output.recal_table}"
+        " {log}"
+    )

bio/gatk/baserecalibratorspark/environment.yaml

@@ -5,4 +5,4 @@ channels:
 dependencies:
   - gatk4 =4.2
   - openjdk =8
-  - snakemake-wrapper-utils =0.1.3
+  - snakemake-wrapper-utils =0.3

bio/gatk/baserecalibratorspark/meta.yaml

@@ -5,6 +5,7 @@ authors:
   - Christopher Schröder
   - Johannes Köster
   - Jake VanCampen
+  - Filipe G. Vieira
 input:
   - bam file
   - fasta reference

bio/gatk/baserecalibratorspark/test/Snakefile

@@ -3,19 +3,19 @@ rule gatk_baserecalibratorspark:
         bam="mapped/{sample}.bam",
         ref="genome.fasta",
         dict="genome.dict",
-        known="dbsnp.vcf.gz"  # optional known sites
+        known="dbsnp.vcf.gz",  # optional known sites
     output:
-        recal_table="recal/{sample}.grp"
+        recal_table="recal/{sample}.grp",
     log:
-        "logs/gatk/baserecalibrator/{sample}.log"
+        "logs/gatk/baserecalibrator/{sample}.log",
     params:
         extra="",  # optional
-        java_opts="", # optional
+        java_opts="",  # optional
         #spark_runner="",  # optional, local by default
         #spark_master="",  # optional
         #spark_extra="", # optional
     resources:
-        mem_mb=1024
+        mem_mb=1024,
     threads: 8
     wrapper:
         "master/bio/gatk/baserecalibratorspark"

bio/gatk/baserecalibratorspark/wrapper.py

@@ -4,7 +4,6 @@
 __license__ = "MIT"
 
 import tempfile
-
 from snakemake.shell import shell
 from snakemake_wrapper_utils.java import get_java_opts
 
@@ -16,18 +15,19 @@
 spark_extra = snakemake.params.get("spark_extra", "")
 java_opts = get_java_opts(snakemake)
 
-tmpdir = tempfile.gettempdir()
-
 log = snakemake.log_fmt_shell(stdout=True, stderr=True)
 known = snakemake.input.get("known", "")
 if known:
     known = "--known-sites {}".format(known)
 
-shell(
-    "gatk --java-options '{java_opts}' BaseRecalibratorSpark {extra} "
-    "-R {snakemake.input.ref} -I {snakemake.input.bam} "
-    "--output {snakemake.output.recal_table} {known} "
-    "--tmp-dir {tmpdir} "
-    "-- --spark-runner {spark_runner} --spark-master {spark_master} {spark_extra} "
-    "{log}"
-)
+with tempfile.TemporaryDirectory() as tmpdir:
+    shell(
+        "gatk --java-options '{java_opts}' BaseRecalibratorSpark"
+        " --input {snakemake.input.bam}"
+        " --reference {snakemake.input.ref}"
+        " {extra}"
+        " --tmp-dir {tmpdir}"
+        " --output {snakemake.output.recal_table} {known}"
+        " -- --spark-runner {spark_runner} --spark-master {spark_master} {spark_extra}"
+        " {log}"
+    )

bio/gatk/cleansam/environment.yaml

@@ -3,5 +3,5 @@ channels:
   - conda-forge
   - defaults
 dependencies:
-  - gatk4 ==4.2.0.0
-  - snakemake-wrapper-utils ==0.1.3
+  - gatk4 =4.2
+  - snakemake-wrapper-utils =0.3

bio/gatk/cleansam/test/Snakefile

@@ -1,13 +1,13 @@
 rule gatk_clean_sam:
     input:
-        bam="{sample}.bam"
+        bam="{sample}.bam",
     output:
-        clean="{sample}.clean.bam"
+        clean="{sample}.clean.bam",
     log:
-        "logs/{sample}.log"
+        "logs/{sample}.log",
     params:
         extra="",
-	java_opts="", # optional
+        java_opts="",  # optional
     resources:
         mem_mb=1024,
     wrapper: