A new step call fastqprocessing for Optimus to speed up (#82)

* added the fastqprocessing folder that merges the first steps---FastqToBam, Attach10XBarcodes, SplitBamFile, SplitBamByCellBarcodes--into one step in Optimus

* added comments and reorganized some files

* added all comments

* Added the logic to process when I1 files are not provided

* removed the libStatGen

* modified dockerfile and the patches

* updated patch to v1.0.14

* added the makefile without -Werror

* Modified docker file to use only the patches to the libStatGen code and freeze a particular version

* removed the libStatGen folder

* addressed the review comments

* addressed the review comments

* formatted the python

* formatted the python

* formatted the python

* addressed review comments

* refactored process_file into four functions

* added some comments to the new functions

.gitignore

@@ -100,3 +100,7 @@ ENV/
 # mypy
 .mypy_cache/
 *.DS_Store
+
+# do not check in the executable and bam file
+fastqpreprocessing/src/fastqprocess
+src/sctools/test/data/bam_with_tags_test.bam

Dockerfile

@@ -5,6 +5,9 @@ LABEL maintainer="Ambrose J. Carr <[email protected]>" \
   description="python 3.7.7 with pysam, sctools, requests, and a basic science stack"
 
 COPY requirements.txt .
+
+RUN apt-get update && apt-get install -y patch && apt-get install -y libhdf5-dev
+
 RUN pip3 install -r requirements.txt
 
 RUN mkdir /sctools/
@@ -13,6 +16,24 @@ COPY .  /sctools
 
 RUN  pip3 install /sctools
 
+ARG libStatGen_version="1.0.14"
+
+RUN wget https://github.com/HumanCellAtlas/sctools/archive/kmk-fastqprocessing.zip 
+
+RUN unzip kmk-fastqprocessing.zip && \
+    cd sctools-kmk-fastqprocessing/fastqpreprocessing &&\
+    wget https://github.com/statgen/libStatGen/archive/v${libStatGen_version}.tar.gz &&\
+    tar -zxvf v${libStatGen_version}.tar.gz &&\
+    mv libStatGen-${libStatGen_version} libStatGen &&\
+    patch libStatGen/fastq/FastQFile.cpp patches/FastQFile.cpp.patch &&\
+    patch libStatGen/Makefile patches/Makefile.patch &&\
+    patch libStatGen/general/Makefile patches/general.Makefile.patch &&\
+    make -C libStatGen &&\
+    mkdir src/obj &&\
+    make -C src/ 
+
+RUN cp sctools-kmk-fastqprocessing/fastqpreprocessing/src/fastqprocess /usr/local/bin/
+
 WORKDIR usr/local/bin/sctools
 
 

fastqpreprocessing/.gitignore

@@ -0,0 +1,8 @@
+*~
+*.o
+*.a
+*.bak
+dox/
+dox_errors.txt
+*#
+*nohup.txt

fastqpreprocessing/patches/FastQFile.cpp.patch

@@ -0,0 +1,18 @@
+--- libStatGen-1.0.14/fastq/FastQFile.cpp	2015-07-08 20:03:23.000000000 +0000
++++ ../libStatGen/FastQFile.cpp	2020-09-17 19:35:48.797593411 +0000
+@@ -489,6 +489,7 @@
+        // Check to see if the sequenceIdentifier is a repeat by adding
+        // it to the set and seeing if it already existed.
+        std::pair<std::map<std::string, unsigned int>::iterator,bool> insertResult;
++       /*
+        insertResult = 
+            myIdentifierMap.insert(std::make_pair(mySequenceIdentifier.c_str(), 
+                                                  myLineNum));
+@@ -505,6 +506,7 @@
+            reportErrorOnLine();
+            return(false);
+        }
++       */
+    }
+
+    // Valid, return true.

fastqpreprocessing/patches/Makefile.patch

@@ -0,0 +1,22 @@
+--- libStatGen-1.0.14/Makefile	2015-07-08 20:03:23.000000000 +0000
++++ ../libStatGen/Makefile	2020-09-03 14:15:41.904210140 +0000
+@@ -2,7 +2,8 @@
+
+ .PHONY: package
+
+-SUBDIRS=general bam fastq glf samtools vcf
++#SUBDIRS=general bam fastq glf samtools vcf
++SUBDIRS=general fastq samtools bam
+
+ include Makefiles/Makefile.base
+
+@@ -16,7 +17,8 @@
+ general: samtools
+
+ # other subdirectories depend on general
+-bam fastq glf vcf: general
++#bam fastq glf vcf: general
++bam fastq : general
+
+ RELEASE_FILE?=libStatGen.$(VERSION).tgz
+

fastqpreprocessing/patches/general.Makefile.patch

@@ -0,0 +1,11 @@
+--- libStatGen-1.0.14/general/Makefile	2020-09-17 20:29:00.320563968 +0000
++++ ../libStatGen/Makefile.general	2020-09-17 20:57:47.982915972 +0000
+@@ -8,7 +8,7 @@
+   # an error, but allow unused results and variables for the
+   # time being.
+   #
+-  USER_WARNINGS ?= -Werror $(shell if [ X$(CCVERSION) \> X4.2.0 ] ; then echo " -Wno-strict-overflow" ; fi)
++  USER_WARNINGS ?= $(shell if [ X$(CCVERSION) \> X4.2.0 ] ; then echo " -Wno-strict-overflow" ; fi)
+ #-Wno-strict-overflow
+ # -Wno-unused-variable $(shell if [ X$(CCVERSION) \> X4.2.0 ] ; then echo " -Wno-unused-result" ; fi)
+ endif

fastqpreprocessing/src/Makefile

@@ -0,0 +1,28 @@
+IDIR =../libStatGen/include
+
+CC = g++ -std=c++17 -O4
+CFLAGS = -I$(IDIR) -L../libStatGen
+
+ODIR=obj
+LDIR =../libStatGen/
+
+TARGET = fastqprocess
+LIBS = -lStatGen -lz -lpthread -lstdc++fs
+
+_DEPS = fastqprocess.h utilities.h
+#DEPS = $(patsubst %,$(IDIR)/%,$(_DEPS))
+
+_OBJ = fastqprocess.o  utilities.o main.o
+OBJ = $(patsubst %,$(ODIR)/%,$(_OBJ))
+
+
+$(ODIR)/%.o: %.cpp $(DEPS)
+	$(CC) -c -o $@ $< $(CFLAGS)
+
+$(TARGET): $(OBJ)  $(_DEPS)
+	$(CC) -o $@ $^ $(CFLAGS)  $(LIBS) 
+
+.PHONY: clean
+
+clean:
+	rm -f $(ODIR)/*.o *~ core $(INCDIR)/*~ 

fastqpreprocessing/src/example-run.sh

@@ -0,0 +1,13 @@
+#!/bin/bash
+./fastqprocess --verbose \
+ --bam-size 0.001 \
+ --barcode-length 16 \
+ --umi-length 10 \
+ --sample-id L8TX \
+ --white-list ../../../data/L8TX/737K-august-2016.txt \
+ --I1 ../../../data/L8TX/A_I1.fastq.gz \
+ --R1 ../../../data/L8TX/A_R1.fastq.gz \
+ --R2 ../../../data/L8TX/A_R2.fastq.gz \
+ --I1 ../../../data/L8TX/B_I1.fastq.gz \
+ --R1 ../../../data/L8TX/B_R1.fastq.gz \
+ --R2 ../../../data/L8TX/B_R2.fastq.gz \