diff --git a/.travis.yml b/.travis.yml index 04e3e203..c42b5831 100644 --- a/.travis.yml +++ b/.travis.yml @@ -13,7 +13,7 @@ before_install: # Pull the docker image first so the test doesn't wait for this - docker pull nfcore/mhcquant:dev # Fake the tag locally so that the pipeline runs properly - - docker tag nfcore/mhcquant:dev nfcore/mhcquant:1.2.3 + - docker tag nfcore/mhcquant:dev nfcore/mhcquant:1.2.4 install: # Install Nextflow diff --git a/CHANGELOG.md b/CHANGELOG.md index 78229ad8..d4151ea8 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,10 @@ # nf-core/mhcquant: Changelog +## v1.2.4 nf-core/mhcquant "Golden Eagle" - 2019/02/02 + +### `Fixed` +fixed refine_fdr_on_predicted_subset float error + ## v1.2.3 nf-core/mhcquant "Golden Eagle" - 2019/02/02 ### `Fixed` diff --git a/Dockerfile b/Dockerfile index 23e209f1..5837a1df 100644 --- a/Dockerfile +++ b/Dockerfile @@ -6,5 +6,5 @@ COPY environment.yml / COPY environment-percolator.yml / RUN conda env create -f /environment.yml && conda clean -a RUN conda env create -f /environment-percolator.yml && conda clean -a -ENV PATH /opt/conda/envs/nf-core-mhcquant-1.2.3/bin:$PATH -ENV PATH /opt/conda/envs/nf-core-mhcquant-percolator-1.2.3/bin:$PATH +ENV PATH /opt/conda/envs/nf-core-mhcquant-1.2.4/bin:$PATH +ENV PATH /opt/conda/envs/nf-core-mhcquant-percolator-1.2.4/bin:$PATH diff --git a/Singularity b/Singularity index cb37e73f..b18428be 100644 --- a/Singularity +++ b/Singularity @@ -3,11 +3,11 @@ Bootstrap:docker %labels DESCRIPTION Singularity image containing all requirements for the nf-core/mhcquant pipeline - VERSION 1.2.3 + VERSION 1.2.4 %environment - PATH=/opt/conda/envs/nf-core-mhcquant-1.2.3/bin:$PATH - PATH=/opt/conda/envs/nf-core-mhcquant-percolator-1.2.3/bin:$PATH + PATH=/opt/conda/envs/nf-core-mhcquant-1.2.4/bin:$PATH + PATH=/opt/conda/envs/nf-core-mhcquant-percolator-1.2.4/bin:$PATH export PATH %files diff --git a/bin/mhcflurry_predict_mztab_for_filtering.py b/bin/mhcflurry_predict_mztab_for_filtering.py index 707cdb85..150f23db 100755 --- a/bin/mhcflurry_predict_mztab_for_filtering.py +++ b/bin/mhcflurry_predict_mztab_for_filtering.py @@ -34,7 +34,7 @@ print allele predictor = Class1AffinityPredictor.load() df_pred=predictor.predict_to_dataframe(allele=allele, peptides=seqs_new_greater_qval) - seqs_filtered+=df_pred[df_pred['prediction']<=sys.argv[-5]]['peptide'].values.tolist() + seqs_filtered+=df_pred[df_pred['prediction']<=float(sys.argv[-5])]['peptide'].values.tolist() #merge sequence lists and append decoys seqs_new_all=list(set(seqs_new_smaller_qval+seqs_filtered)) diff --git a/environment-percolator.yml b/environment-percolator.yml index 3d450299..73dfcdd0 100644 --- a/environment-percolator.yml +++ b/environment-percolator.yml @@ -1,4 +1,4 @@ -name: nf-core-mhcquant-percolator-1.2.3 +name: nf-core-mhcquant-percolator-1.2.4 channels: - bioconda - conda-forge diff --git a/environment.yml b/environment.yml index 330263a0..246b219b 100644 --- a/environment.yml +++ b/environment.yml @@ -1,4 +1,4 @@ -name: nf-core-mhcquant-1.2.3 +name: nf-core-mhcquant-1.2.4 channels: - bioconda - conda-forge diff --git a/main.nf b/main.nf index 1b82542f..3deed568 100644 --- a/main.nf +++ b/main.nf @@ -713,6 +713,7 @@ process filter_by_q_value_first { * STEP 12.1 - option refine_fdr_on_predicted_subset: export filtered percolator results as mztab */ process export_mztab_perc { + publishDir "${params.outdir}/Intermediate_Results/" input: file percolator_mztab from id_files_merged_psm_perc_filtered_refine @@ -737,6 +738,7 @@ process export_mztab_perc { * STEP 12.2 - option refine_fdr_on_predicted_subset: export psm results as mztab */ process export_mztab_psm { + publishDir "${params.outdir}/Intermediate_Results/" input: file psm_mztab from id_files_merged_psm_refine diff --git a/nextflow.config b/nextflow.config index d1c5cb78..1c073367 100644 --- a/nextflow.config +++ b/nextflow.config @@ -11,7 +11,7 @@ // Global default params, used in configs params { - container = 'nfcore/mhcquant:1.2.3' // Container slug. Stable releases should specify release tag! + container = 'nfcore/mhcquant:1.2.4' // Container slug. Stable releases should specify release tag! help = false mzmls = "data/*.mzML" @@ -123,7 +123,7 @@ manifest { description = 'Identify and quantify peptides from mass spectrometry raw data' mainScript = 'main.nf' nextflowVersion = '>=0.32.0' - version = '1.2.3' + version = '1.2.4' } // Function to ensure that resource requirements don't go beyond