From 94757795a959aec38e28fd8d4689ece2d524ca53 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 10:28:51 -0500 Subject: [PATCH 01/17] Dependencies and Python version have been upgraded for 3.9. This represents a forward jump of 2-4 years for many of these dependencies --- conda/environment.yml | 29 ++++++++++++++--------------- 1 file changed, 14 insertions(+), 15 deletions(-) diff --git a/conda/environment.yml b/conda/environment.yml index 4f0b17b1..2b798b74 100644 --- a/conda/environment.yml +++ b/conda/environment.yml @@ -3,21 +3,20 @@ channels: - bioconda - main dependencies: - - python>=3.7 - - numpy==1.19.2 - - pandas==1.2.4 - - conda-forge::matplotlib==3.4.3 - - fastp==0.22.0 - - bowtie==1.2.3 - - tbb==2020.3 # Bowtie dependency, temporary fix. v2021.x breaks bowtie, is not properly pinned to v2020 in bioconda - - nodejs==10.13.0 - - conda-forge::cwltool==3.1.20211001174446 - - conda-forge::psutil==5.8.0 + - python>=3.9 + - numpy==1.23.1 + - pandas==1.4.3 + - conda-forge::matplotlib==3.5.2 + - htseq==2.0.2 + - fastp==0.23.2 + - bowtie==1.3.1 + - nodejs==17.9.0 # 16.13.1 + - conda-forge::cwltool==3.1.20220628170238 + - conda-forge::psutil==5.9.1 - conda-forge::mscorefonts==0.0.1 - - conda-forge::r-base==4.1.1 - - setuptools==52.0.0 - - pip==21.2.4 + - conda-forge::r-base==4.1.3 # 4.1.1 + - bioconductor-deseq2==1.34.0 + - setuptools==63.1.0 + - pip==22.1.2 - pip: - - --use-feature=in-tree-build - - htseq==0.13.5 - ../ # Install tinyRNA via setup.py \ No newline at end of file From 04d451a2fea12b47bcb1d8abce4ee2bc0eda1835 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 10:31:14 -0500 Subject: [PATCH 02/17] Update multiprocessing utilities to use fork instead of spawn. MP for py3.8 switched to spawn by default on macOS, which means that workers did not inherit global variables as expected --- tiny/rna/counter/counter.py | 1 + tiny/rna/plotter.py | 1 + 2 files changed, 2 insertions(+) diff --git a/tiny/rna/counter/counter.py b/tiny/rna/counter/counter.py index 1710df25..7733907e 100644 --- a/tiny/rna/counter/counter.py +++ b/tiny/rna/counter/counter.py @@ -163,6 +163,7 @@ def map_and_reduce(libraries, prefs): # Use a multiprocessing pool if multiple sam files were provided if len(libraries) > 1: + mp.set_start_method("fork") with mp.Pool(len(libraries)) as pool: async_results = pool.imap_unordered(counter.count_reads, libraries) diff --git a/tiny/rna/plotter.py b/tiny/rna/plotter.py index b5656703..3c8b4a6b 100644 --- a/tiny/rna/plotter.py +++ b/tiny/rna/plotter.py @@ -668,6 +668,7 @@ def main(): itinerary.append((func, arg, kwd)) if len(itinerary) > 1 and not aqplt.is_debug_mode(): + mp.set_start_method('fork') with mp.Pool(len(itinerary)) as pool: results = [] for task, args, kwds in itinerary: From 8605d55eb03d85a8481aa54e5fadb5574a5adf27 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 10:36:09 -0500 Subject: [PATCH 03/17] Updated our parse_GFF_attribute_string() patch to reflect latest changes in HTSeq. Also removed string interning for attribute keys/values since tiny-count's design has evolved to handle these values minimally and only during the GFF parsing step, so it no longer has much of an affect on our runtimes. --- tiny/rna/counter/hts_parsing.py | 22 ++++++++++++++++------ 1 file changed, 16 insertions(+), 6 deletions(-) diff --git a/tiny/rna/counter/hts_parsing.py b/tiny/rna/counter/hts_parsing.py index 6d345881..43925a11 100644 --- a/tiny/rna/counter/hts_parsing.py +++ b/tiny/rna/counter/hts_parsing.py @@ -172,7 +172,7 @@ def infer_strandedness(sam_file: str, intervals: dict) -> str: else: return "non-reverse" -def parse_GFF_attribute_string(attrStr, extra_return_first_value=False): +def parse_GFF_attribute_string(attrStr, extra_return_first_value=False, gff_version=2): """Parses a GFF attribute string and returns it as a dictionary. This is a slight modification of the same method found in HTSeq.features. @@ -186,14 +186,24 @@ def parse_GFF_attribute_string(attrStr, extra_return_first_value=False): ID." """ + if attrStr.endswith("\n"): + attrStr = attrStr[:-1] + # Modification: store attributes in a dict subclass that allows case-insensitive ops attribute_dict = CaseInsensitiveAttrs() first_val = "_unnamed_" - for i, attr in enumerate(HTSeq._HTSeq.quotesafe_split(attrStr.rstrip().encode())): + + if gff_version == 2: + iterator = HTSeq._HTSeq.quotesafe_split(attrStr.encode()) + else: + # GFF3 does not care about quotes + iterator = attrStr.encode().split(b';') + + for i, attr in enumerate(iterator): attr = attr.decode() if _re_attr_empty.match(attr): continue - if attr.count('"') not in (0, 2): + if (gff_version == 2) and attr.count('"') not in (0, 2): raise ValueError( "The attribute string seems to contain mismatched quotes.") mo = _re_attr_main.match(attr) @@ -201,10 +211,10 @@ def parse_GFF_attribute_string(attrStr, extra_return_first_value=False): raise ValueError("Failure parsing GFF attribute line") key = mo.group(1) val = mo.group(2) - if val.startswith('"') and val.endswith('"'): + if (gff_version == 2) and val.startswith('"') and val.endswith('"'): val = val[1:-1] # Modification: allow for comma separated attribute values - attribute_dict[sys.intern(key)] = (sys.intern(val),) \ + attribute_dict[key] = (val,) \ if ',' not in val \ else tuple(c.strip() for c in val.split(',')) if extra_return_first_value and i == 0: @@ -350,7 +360,7 @@ def __init__(self, gff_files: Dict[str, list], feature_selector, **kwargs): self.tags = defaultdict(set) # Root Feature ID -> Root Match ID # Patch the GFF attribute parser to support comma separated attribute value lists - setattr(HTSeq.features, 'parse_GFF_attribute_string', parse_GFF_attribute_string) + setattr(HTSeq.features.GFF_Reader, 'parse_GFF_attribute_string', staticmethod(parse_GFF_attribute_string)) @report_execution_time("GFF parsing") def get(self) -> Tuple[StepVector, AliasTable, ClassTable, dict]: From 1cf7b4816d894ef6c317028ed41930fa5ff58ba5 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 10:39:57 -0500 Subject: [PATCH 04/17] Python now issues a warning when comparing to string literals using the "is" operator (even though the values I was comparing to are guaranteed to be interned for current and prior Python versions) --- tiny/rna/counter/matching.py | 4 ++-- tiny/rna/plotterlib.py | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/tiny/rna/counter/matching.py b/tiny/rna/counter/matching.py index fa81b95b..67767aa5 100644 --- a/tiny/rna/counter/matching.py +++ b/tiny/rna/counter/matching.py @@ -184,7 +184,7 @@ def __contains__(self, alignment: dict): terminus of this feature's interval. """ - if alignment['strand'] is '+': + if alignment['strand'] == '+': return alignment['start'] == self.start else: return alignment['end'] == self.end @@ -221,7 +221,7 @@ def __contains__(self, alignment): terminus of this feature's interval. """ - if alignment["strand"] is '+': + if alignment["strand"] == '+': return alignment['end'] == self.end else: return alignment['start'] == self.start diff --git a/tiny/rna/plotterlib.py b/tiny/rna/plotterlib.py index 9cc40c5c..15201053 100644 --- a/tiny/rna/plotterlib.py +++ b/tiny/rna/plotterlib.py @@ -382,7 +382,7 @@ def every_nth_label(self, axis: mpl.axis.Axis, n: int) -> Tuple[List[mpl.axis.Ti # If the last tick label on the x-axis will extend past the plot space, # then hide it and its corresponding tick on the y-axis - if axis.__name__ is "xaxis" and axis.get_tick_space() == len(ticks_displayed): + if axis.__name__ == "xaxis" and axis.get_tick_space() == len(ticks_displayed): major_ticks[last_idx].label1.set_visible(False) yaxis = axis.axes.yaxis yaxis.get_major_ticks()[last_idx].label1.set_visible(False) @@ -421,7 +421,7 @@ def cache_ticks(self, axis: mpl.axis.Axis, name: str): def restore_ticks(self, ax: plt.Axes, axis: str): """Restore tick objects from previous render""" - axes = [ax.xaxis, ax.yaxis] if axis is "both" else [getattr(ax, axis)] + axes = [ax.xaxis, ax.yaxis] if axis == "both" else [getattr(ax, axis)] for axis in axes: name = axis.__name__ for type in ["major", "minor"]: From e6cb8de6f4bd1b44aa706b1387cac8a33cb1472e Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 10:40:32 -0500 Subject: [PATCH 05/17] Minor change to fix a future deprication warning from numpy --- tiny/rna/plotterlib.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tiny/rna/plotterlib.py b/tiny/rna/plotterlib.py index 15201053..36fb7710 100644 --- a/tiny/rna/plotterlib.py +++ b/tiny/rna/plotterlib.py @@ -272,7 +272,7 @@ def get_scatter_view_lims(counts_df: pd.DataFrame) -> Tuple[float, float]: """Calculates scatter view limits for the counts dataframe""" x0 = counts_df.min(axis='columns').where(lambda x: x != 0).dropna().min() - x1 = np.max(counts_df).max() + x1 = counts_df.max().max() minpos = 1e-300 if not np.isfinite([x0, x1]).all() or not isinstance(x0, np.float) or x1 <= 0: From 0fd4f8131ca8d0547a1e1144487e846c37367f4c Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 10:41:10 -0500 Subject: [PATCH 06/17] Minor change to make the cwltool runner more useful when running the pipeline in debug mode --- tiny/entry.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tiny/entry.py b/tiny/entry.py index fe0105e9..83a2bbe2 100644 --- a/tiny/entry.py +++ b/tiny/entry.py @@ -176,7 +176,7 @@ def run_cwltool_subprocess(config_file: str, workflow: str, run_directory=None, """ command = ['cwltool --timestamps --relax-path-checks --on-error continue'] - if verbosity == 'debug': command.append('--debug --js-console') + if verbosity == 'debug': command.append('--debug --js-console --leave-tmpdir') if verbosity == 'quiet': command.append('--quiet') if run_directory: command.append(f'--outdir {run_directory}') if parallel: command.append('--parallel') From 2f70e272f40b7aef3057de813112fdbb8bf23e14 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 12:39:02 -0500 Subject: [PATCH 07/17] The Features class now uses the improved singleton design pattern first used in the Wildcard class, for consistency --- tiny/rna/counter/features.py | 19 ++++++++----------- 1 file changed, 8 insertions(+), 11 deletions(-) diff --git a/tiny/rna/counter/features.py b/tiny/rna/counter/features.py index 77b79b89..785b6567 100644 --- a/tiny/rna/counter/features.py +++ b/tiny/rna/counter/features.py @@ -13,20 +13,17 @@ feature_record_tuple = Tuple[str, str, Tuple[match_tuple]] # (feature ID, strand, match tuple) -class Features: +class Features(metaclass=Singleton): chrom_vectors: HTSeq.ChromVector - classes: dict aliases: dict + classes: dict + tags: dict - _instance = None # Singleton - - def __init__(self, features: HTSeq.GenomicArrayOfSets, aliases: dict, classes: dict, tags: dict): - if Features._instance is None: - Features.chrom_vectors = features.chrom_vectors # For interval -> feature record tuple lookups - Features.aliases = aliases # For feature ID -> preferred feature name lookups - Features.classes = classes # For feature ID -> class lookups - Features.tags = tags # For feature ID -> match IDs - Features._instance = self + def __init__(_, features: HTSeq.GenomicArrayOfSets, aliases: dict, classes: dict, tags: dict): + Features.chrom_vectors = features.chrom_vectors # For interval -> feature record tuple lookups + Features.aliases = aliases # For feature ID -> preferred feature name lookups + Features.classes = classes # For feature ID -> class lookups + Features.tags = tags # For feature ID -> match IDs class FeatureCounter: From 7687071b638d5ffe77da951f4c47cde69da650bc Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 12:54:10 -0500 Subject: [PATCH 08/17] Settling on a version compromise for r-base and nodejs (newer versions are possible on linux but not osx). Also reorganized the ordering of environment.yml. --- conda/environment.yml | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/conda/environment.yml b/conda/environment.yml index 2b798b74..364e4e09 100644 --- a/conda/environment.yml +++ b/conda/environment.yml @@ -4,19 +4,19 @@ channels: - main dependencies: - python>=3.9 + - bioconductor-deseq2==1.34.0 + - bowtie==1.3.1 + - fastp==0.23.2 + - htseq==2.0.2 + - nodejs==16.13.1 - numpy==1.23.1 - pandas==1.4.3 - - conda-forge::matplotlib==3.5.2 - - htseq==2.0.2 - - fastp==0.23.2 - - bowtie==1.3.1 - - nodejs==17.9.0 # 16.13.1 + - pip==22.1.2 + - setuptools==63.1.0 - conda-forge::cwltool==3.1.20220628170238 - - conda-forge::psutil==5.9.1 + - conda-forge::matplotlib==3.5.2 - conda-forge::mscorefonts==0.0.1 - - conda-forge::r-base==4.1.3 # 4.1.1 - - bioconductor-deseq2==1.34.0 - - setuptools==63.1.0 - - pip==22.1.2 + - conda-forge::psutil==5.9.1 + - conda-forge::r-base==4.1.1 - pip: - ../ # Install tinyRNA via setup.py \ No newline at end of file From d022c6bc495d048b4b1ca2c3d137876044a03036 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 13:22:23 -0500 Subject: [PATCH 09/17] setup.sh has been updated to no longer install r or DESeq2 since this is now managed by conda (which also means we can skip the 20 minute wait while it compiles). Bioconductor-related variables have been removed and the Python version has been bumped. --- setup.sh | 75 ++++++-------------------------------------------------- 1 file changed, 8 insertions(+), 67 deletions(-) diff --git a/setup.sh b/setup.sh index 03d898d2..19e35f66 100755 --- a/setup.sh +++ b/setup.sh @@ -6,10 +6,8 @@ [[ $# -eq 1 ]] && env_name=$1 || env_name="tinyrna" -python_version="3.7" +python_version="3.9" miniconda_version="4.12.0" -bioc_version="3.14" -tested_bioc_versions="3.1[2-4]" function success() { check="✓" @@ -83,12 +81,12 @@ if [[ "$OSTYPE" == "darwin"* ]]; then success "macOS detected" shell=$(basename "$(dscl . -read ~/ UserShell | cut -f 2 -d " ")") miniconda_installer="Miniconda3-py${python_version/./}_${miniconda_version}-MacOSX-x86_64.sh" - platform_lock_file="./conda/conda-r-osx-64.lock" + platform_lock_file="./conda/conda-osx-64.lock" elif [[ "$OSTYPE" == "linux-gnu" ]]; then success "Linux detected" shell="$(basename "$SHELL")" miniconda_installer="Miniconda3-py${python_version/./}_${miniconda_version}-Linux-x86_64.sh" - platform_lock_file="./conda/conda-r-linux-64.lock" + platform_lock_file="./conda/conda-linux-64.lock" else fail "Unsupported OS" exit 1 @@ -123,46 +121,6 @@ else rm $miniconda_installer fi -# By default, assume that host environment does not contain an appropriate DESeq2 version -install_R_deseq2=true - -# Check if R is installed -if [ -x "$(command -v R)" ]; then - status "Checking host R environment..." - # Check if DESeq2 is installed - if Rscript -e "library(DESeq2); print(TRUE)" 2>&1 | tail -n 1 | grep -q TRUE; then - # Get installed Bioconductor version - host_bioc_vers=$(Rscript -e "library(BiocManager); BiocManager::version()" 2>&1 | tail -n 1 | grep -Eo '[0-9]+\.[0-9]+') - # Check to see if host_bioc_version is in our tested range - if [[ $host_bioc_vers =~ $tested_bioc_versions ]]; then - success "DESeq2 is already installed in the host environment" - install_R_deseq2=false - else - echo - echo "tinyRNA has been tested with DESeq2 in Bioconductor release $tested_bioc_versions." \ - "The installer found v$host_bioc_vers on your system. tinyRNA can use your copy or we can" \ - "install a tested version of DESeq2 and R in the isolated tinyRNA environment." | fold -s - echo - echo "BEWARE: installation of DESeq2 will take over 20 minutes." - echo - read -p "Would you like tinyRNA to use your copy of DESeq2? [y/n]: " -n 1 -r - echo - if [[ $REPLY =~ ^[Yy]$ ]]; then - success "The host's DESeq2 installation will be used" - install_R_deseq2=false - elif [[ $REPLY =~ ^[^YyNn]$ ]]; then - fail "Invalid option: $REPLY" - exit 1 - fi - fi # End of Bioconductor version check - fi # End DESeq2 check -fi # End of R check - -if [[ $install_R_deseq2 == false ]]; then - # Switch to using non-R lock file - platform_lock_file="${platform_lock_file//-r/}" -fi - # Check if the conda environment $env_name exists if conda env list | grep -q "$env_name"; then echo @@ -203,31 +161,14 @@ fi # Activate tinyRNA environment conda activate $env_name -# Install pip dependencies and our codebase -status "Installing pip dependencies..." -if ! pip --use-feature=in-tree-build install htseq==0.13.5 . > "pip_install.log" 2>&1; then - fail "Failed to install pip dependencies" +# Install the tinyRNA codebase +status "Installing tinyRNA codebase via pip..." +if ! pip install . > "pip_install.log" 2>&1; then + fail "Failed to install tinyRNA codebase" echo "Check the pip_install.log file for more information." exit 1 fi -success "pip dependencies installed" - -if [[ $install_R_deseq2 == true ]]; then - # Install DESeq2 from Bioconductor - status "Installing DESeq2 from Bioconductor (this may take over 20 minutes)..." - status 'To check status run "tail -f deseq2_install.log" from another terminal' - Rscript -e "install.packages(\"BiocManager\", version=\"$bioc_version\", repos=\"https://cloud.r-project.org\")" > "deseq2_install.log" 2>&1 - Rscript -e "BiocManager::install(\"DESeq2\", version=\"$bioc_version\")" >> "deseq2_install.log" 2>&1 - - # Check if DESeq2 installation was successful - if grep -q "DONE (DESeq2)" "deseq2_install.log"; then - success "DESeq2 installation was successful" - else - fail "DESeq2 installation failed" - echo "See deseq2_install.log for more information" - exit 1 - fi -fi +success "tinyRNA codebase installed" success "Setup complete" status "To activate the environment, run:" From befadb53aeb0d64c1d4642e4df4800a4c9eef274 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 20 Jul 2022 14:02:08 -0500 Subject: [PATCH 10/17] Removing old lockfiles for the r-included installs. 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Lock files will not convey environment variables so setup.sh must do so. If a user had previously installed any component in the dependency tree via pip --user, these components end up in ~/.local/lib/python3.x/site-packages and Python actually gives this directory higher priority in sys.path than the environment's site-packages. Importing a package that can be found in the .local directory will result in that package being preferred even if it is the wrong version. Wild. This strikes me as a bug in conda because it breaks conda's isolation model. Others have thought so as well, but each time this subject has been raised it is ultimately dismissed as intended functionality. --- conda/conda-linux-64.lock | 12 ++++++------ conda/conda-osx-64.lock | 12 ++++++------ conda/environment.yml | 4 +++- setup.sh | 3 ++- 4 files changed, 17 insertions(+), 14 deletions(-) diff --git a/conda/conda-linux-64.lock b/conda/conda-linux-64.lock index 47424f7e..b9caae49 100644 --- a/conda/conda-linux-64.lock +++ b/conda/conda-linux-64.lock @@ -4,7 +4,7 @@ @EXPLICIT https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2#d7c89558ba9fa0495403155b64376d81 https://conda.anaconda.org/conda-forge/noarch/_r-mutex-1.0.1-anacondar_1.tar.bz2#19f9db5f4f1b7f5ef5f6d67207f25f38 -https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2022.6.15-ha878542_0.tar.bz2#c320890f77fd1d617fa876e0982002c2 +https://conda.anaconda.org/main/linux-64/ca-certificates-2022.07.19-h06a4308_0.tar.bz2#ef4b29ea120fdfa542adbce43d035c95 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https://conda.anaconda.org/conda-forge/osx-64/llvm-tools-14.0.4-h41df66c_0.tar.b https://conda.anaconda.org/conda-forge/osx-64/mpfr-4.1.0-h0f52abe_1.tar.bz2#afe26b08c2d2265b4d663d199000e5da https://conda.anaconda.org/main/osx-64/nodejs-16.13.1-h470481b_0.tar.bz2#e7cf42ec09c1e7e317f715e8fdc274e2 https://conda.anaconda.org/conda-forge/osx-64/sigtool-0.1.3-h57ddcff_0.tar.bz2#e0dcb354df4ad4f79539d57e4f8ec1bd -https://conda.anaconda.org/conda-forge/osx-64/sqlite-3.39.1-hd9f0692_0.tar.bz2#add14b880512697bba36cb71a3d26c8b +https://conda.anaconda.org/conda-forge/osx-64/sqlite-3.39.2-hd9f0692_0.tar.bz2#eea4504fd46050a22d482addde6ae7c7 https://conda.anaconda.org/main/osx-64/tktable-2.10-h1de35cc_0.tar.bz2#38711ae78e8c78aaa729be7f8d234122 https://conda.anaconda.org/main/osx-64/zstd-1.5.2-hcb37349_0.tar.bz2#0cf0e49baee6e0bc5c90983826cb22d4 https://conda.anaconda.org/conda-forge/osx-64/clang-14-14.0.4-default_h55ffa42_0.tar.bz2#bb9de1537a65d6dc6a25fb9f81f64bae @@ -102,7 +102,7 @@ https://conda.anaconda.org/main/osx-64/lcms2-2.12-hf1fd2bf_0.tar.bz2#819762fdace https://conda.anaconda.org/conda-forge/osx-64/libblas-3.9.0-15_osx64_openblas.tar.bz2#48c26d27a96c71cfae2621311aa06215 https://conda.anaconda.org/main/osx-64/libgd-2.3.3-he7e2580_1.tar.bz2#1256140bf83fffd8eaf48b9cb5036486 https://conda.anaconda.org/conda-forge/osx-64/libglib-2.72.1-hfbcb929_0.tar.bz2#df60046c5ef9df0b5e2b2047915c934d -https://conda.anaconda.org/main/osx-64/libwebp-1.2.2-h56c3ce4_0.tar.bz2#e5a5ff19677d4dc490d54ae33b99ff31 +https://conda.anaconda.org/conda-forge/osx-64/libwebp-1.2.3-hf64df63_1.tar.bz2#6709a2e06240f9112b7185cc2c1dfa7e https://conda.anaconda.org/main/osx-64/lockfile-0.12.2-py39hecd8cb5_0.tar.bz2#4f00c99cf628547ceb0c9090a3e57988 https://conda.anaconda.org/main/osx-64/mistune-0.8.4-py39h9ed2024_1000.tar.bz2#2a4d604717a647ad21af766289cbbfc3 https://conda.anaconda.org/main/noarch/munkres-1.1.4-py_0.tar.bz2#67857cc5e9044770d2b15f9d94a4521d @@ -174,7 +174,7 @@ https://conda.anaconda.org/bioconda/osx-64/htseq-2.0.2-py39h6041a6e_0.tar.bz2#df https://conda.anaconda.org/conda-forge/osx-64/libgirepository-1.72.0-h0bde3a9_1.tar.bz2#5d2eba5a95e773cdb80aff961b9a0b76 https://conda.anaconda.org/conda-forge/osx-64/matplotlib-3.5.2-py39h6e9494a_0.tar.bz2#ec60569d63f655c498371e4774ba8b26 https://conda.anaconda.org/main/osx-64/pandas-1.4.3-py39he9d5cce_0.tar.bz2#fcd3e91845db1728f2c64b0c2e26c7d3 -https://conda.anaconda.org/conda-forge/noarch/urllib3-1.26.10-pyhd8ed1ab_0.tar.bz2#14f22c5b9cfd0d93c2806faaa3fe6dec +https://conda.anaconda.org/conda-forge/noarch/urllib3-1.26.11-pyhd8ed1ab_0.tar.bz2#0738978569b10669bdef41c671252dd1 https://conda.anaconda.org/conda-forge/osx-64/clangxx_osx-64-14.0.4-he1dbc44_2.tar.bz2#a82006ea176018f37f7c34c3c3d08630 https://conda.anaconda.org/conda-forge/osx-64/g-ir-host-tools-1.72.0-h5734cbb_1.tar.bz2#c5bda43b26ba25527ed90babb6837484 https://conda.anaconda.org/conda-forge/osx-64/gfortran_osx-64-9.3.0-h18f7dce_15.tar.bz2#48f985e599ff223cd8acea3595d2cbe5 @@ -277,7 +277,7 @@ https://conda.anaconda.org/bioconda/osx-64/bioconductor-biostrings-2.62.0-r41hab https://conda.anaconda.org/bioconda/osx-64/bioconductor-genomicranges-1.46.1-r41haba8685_0.tar.bz2#fa948cc6268f275a7415d9204f3d478b https://conda.anaconda.org/conda-forge/noarch/prov-1.5.1-py_1.tar.bz2#66e578dc9f4bfe65728ad547a81cd6dd https://conda.anaconda.org/conda-forge/osx-64/r-rsqlite-2.2.8-r41h9951f98_0.tar.bz2#59ba4d78009ad6a785ce894c63f23f2a -https://conda.anaconda.org/conda-forge/osx-64/r-tibble-3.1.7-r41h67d6963_0.tar.bz2#6797b0555cdae1fda5f7220a967196c5 +https://conda.anaconda.org/conda-forge/osx-64/r-tibble-3.1.8-r41h67d6963_0.tar.bz2#d1e5896327f1f90c7e3528da19f9ebc6 https://conda.anaconda.org/bioconda/noarch/bioconductor-keggrest-1.34.0-r41hdfd78af_0.tar.bz2#54056f47634552568aa26b1b09a2e16a https://conda.anaconda.org/bioconda/noarch/bioconductor-summarizedexperiment-1.24.0-r41hdfd78af_0.tar.bz2#f21eb229b8ee58680cb0179ef6d51f7e https://conda.anaconda.org/conda-forge/noarch/cwltool-3.1.20220628170238-pyhc268e32_0.tar.bz2#b8780347d56585db8c9323522cbe9118 diff --git a/conda/environment.yml b/conda/environment.yml index 364e4e09..425e1b02 100644 --- a/conda/environment.yml +++ b/conda/environment.yml @@ -19,4 +19,6 @@ dependencies: - conda-forge::psutil==5.9.1 - conda-forge::r-base==4.1.1 - pip: - - ../ # Install tinyRNA via setup.py \ No newline at end of file + - ../ # Install tinyRNA via setup.py +variables: + - PYTHONNOUSERSITE: 1 \ No newline at end of file diff --git a/setup.sh b/setup.sh index 19e35f66..1662f8ce 100755 --- a/setup.sh +++ b/setup.sh @@ -158,8 +158,9 @@ else setup_environment fi -# Activate tinyRNA environment +# Activate environment and set environment variable config for Linux stability conda activate $env_name +conda env config vars set PYTHONNOUSERSITE=1 # FYI: cannot be set by lockfile # Install the tinyRNA codebase status "Installing tinyRNA codebase via pip..." From ef7521a8e67544410f24a1ce872eb84c9b796515 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Tue, 26 Jul 2022 07:17:21 -0700 Subject: [PATCH 12/17] Small bugfix to address a non-numeric reduction warning --- tiny/rna/plotter.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/tiny/rna/plotter.py b/tiny/rna/plotter.py index 3c8b4a6b..06283976 100644 --- a/tiny/rna/plotter.py +++ b/tiny/rna/plotter.py @@ -248,9 +248,10 @@ def get_sample_rep_dict(df: pd.DataFrame) -> dict: """ sample_dict = defaultdict(list) + non_numeric_cols = ["Feature Class", "Feature Name"] for col in df.columns: - if col == "Feature Class": continue + if col in non_numeric_cols: continue sample = col.split("_rep_")[0] sample_dict[sample].append(col) From b3961e6811fe4b0ffb22c013808333e1e0f9c99c Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Tue, 26 Jul 2022 07:17:39 -0700 Subject: [PATCH 13/17] Package version corrections in setup.py --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index d0bd6109..382726df 100644 --- a/setup.py +++ b/setup.py @@ -12,8 +12,8 @@ EMAIL = 'ajtate@colostate.edu' AUTHOR = 'Kristen Brown, Alex Tate' PLATFORM = 'Unix' -REQUIRES_PYTHON = '>=3.7.0' -VERSION = '0.1' +REQUIRES_PYTHON = '>=3.9.0' +VERSION = '1.0' # Required packages are installed via Conda's environment.yml # See PreFlight below... From 855daec3fe6a477cbf46e52989acd41de21f72f8 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Tue, 26 Jul 2022 07:26:52 -0700 Subject: [PATCH 14/17] Directing stdout from `conda env config vars` to /dev/null to keep terminal output clean --- setup.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.sh b/setup.sh index 1662f8ce..56ead387 100755 --- a/setup.sh +++ b/setup.sh @@ -160,7 +160,7 @@ fi # Activate environment and set environment variable config for Linux stability conda activate $env_name -conda env config vars set PYTHONNOUSERSITE=1 # FYI: cannot be set by lockfile +conda env config vars set PYTHONNOUSERSITE=1 > /dev/null # FYI: cannot be set by lockfile # Install the tinyRNA codebase status "Installing tinyRNA codebase via pip..." From 11127859ea76ac077655ff0af741cc49ec0ef9cd Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Tue, 26 Jul 2022 08:02:34 -0700 Subject: [PATCH 15/17] Updating project description in setup.py --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 382726df..df524016 100644 --- a/setup.py +++ b/setup.py @@ -7,7 +7,7 @@ # Package metadata NAME = 'tinyrna' -DESCRIPTION = 'Comprehensive analysis of small RNA high-throughput sequencing data' +DESCRIPTION = 'Precision analysis of small RNA high-throughput sequencing data' URL = 'https://github.com/MontgomeryLab/tinyrna/' EMAIL = 'ajtate@colostate.edu' AUTHOR = 'Kristen Brown, Alex Tate' From 6da1e4f0fb594bee80a4bc75c63a5d6036186cee Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 27 Jul 2022 09:41:40 -0700 Subject: [PATCH 16/17] Version bugfix for the bowtie CWL wrapper. The previous method of setting the index via positional argument produces a future deprecation warning. This commit also contains a small correction to the specification and doc string for the `reads` parameter which is more inline with its type --- tiny/cwl/tools/bowtie.cwl | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tiny/cwl/tools/bowtie.cwl b/tiny/cwl/tools/bowtie.cwl index c6d975e3..cf9c7bbd 100644 --- a/tiny/cwl/tools/bowtie.cwl +++ b/tiny/cwl/tools/bowtie.cwl @@ -17,6 +17,7 @@ inputs: ebwt: type: string inputBinding: + prefix: -x position: 23 doc: "The basename of the index to be searched." @@ -28,9 +29,8 @@ inputs: reads: type: File inputBinding: - itemSeparator: "," position: 24 - doc: "Comma-separated list of files containing unpaired reads" + doc: "File containing unpaired reads" outfile: type: string From 90730818dd27fb14eca9f170591d398d7aefed42 Mon Sep 17 00:00:00 2001 From: Alex Tate <0xalextate@gmail.com> Date: Wed, 27 Jul 2022 09:45:45 -0700 Subject: [PATCH 17/17] The run_native runner mode was performing parallel runs regardless of user preferences for run_parallel. This has been corrected so that tinyRNA respects the run_parallel setting when run_native is true. --- tiny/entry.py | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/tiny/entry.py b/tiny/entry.py index 83a2bbe2..9e317718 100644 --- a/tiny/entry.py +++ b/tiny/entry.py @@ -97,7 +97,10 @@ def run(tinyrna_cwl_path: str, config_file: str) -> None: if config_object['run_native']: # experimental # Execute the CWL runner via native Python - return_code = run_native(config_object, workflow, run_directory, verbosity=loudness) + return_code = run_native( + config_object, workflow, + run_directory=run_directory, + parallel=parallel, verbosity=loudness) else: # Use the cwltool CWL runner via command line return_code = run_cwltool_subprocess( @@ -185,7 +188,7 @@ def run_cwltool_subprocess(config_file: str, workflow: str, run_directory=None, return subprocess.run(cwl_runner, shell=True).returncode -def run_native(config_object: 'ConfigBase', workflow: str, run_directory: str = '.', verbosity="normal") -> int: +def run_native(config_object: 'ConfigBase', workflow: str, run_directory: str = '.', parallel=False, verbosity="normal") -> int: """Executes the workflow using native Python rather than subprocess "command line" Args: @@ -238,14 +241,14 @@ def furnish_if_file_record(file_dict): datefmt="%Y-%m-%d %H:%M:%S", level=level, isatty=True) # Create a wrapper for the executors so that we may pass our logger to them (unsupported by Factory) - parallel: MultithreadedJobExecutor = functools.partial(MultithreadedJobExecutor(), logger=logger) - serial: SingleJobExecutor = functools.partial(SingleJobExecutor(), logger=logger) + parallel_exec: MultithreadedJobExecutor = functools.partial(MultithreadedJobExecutor(), logger=logger) + serial_exec: SingleJobExecutor = functools.partial(SingleJobExecutor(), logger=logger) # Instantiate Factory with our run preferences cwl = cwltool.factory.Factory( runtime_context=runtime_context, loading_context=LoadingContext({'relax_path_checks': True}), - executor=parallel if parallel else serial + executor=parallel_exec if parallel else serial_exec ) try: