From 215b0fc5b3eaed3d50aa92e993d550ad16a5f3cc Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 6 Aug 2024 11:33:00 +0200 Subject: [PATCH 01/38] Bump tiddit version --- BALSAMIC/containers/varcall_py3/varcall_py3.yaml | 2 +- docs/balsamic_methods.rst | 2 +- docs/bioinfo_softwares.rst | 2 +- tests/test_data/config.json | 2 +- tests/test_data/config_pon.json | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml index 4f106103e..7b63b41e4 100644 --- a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml +++ b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml @@ -163,7 +163,7 @@ dependencies: - svdb=2.8.1 - sysroot_linux-64=2.12 - tabix=1.11 - - tiddit=3.3.2 + - tiddit=3.8.0 - tk=8.6.12 - tktable=2.10 - toolz=0.12.0 diff --git a/docs/balsamic_methods.rst b/docs/balsamic_methods.rst index 783e2f1c5..c8a37f990 100644 --- a/docs/balsamic_methods.rst +++ b/docs/balsamic_methods.rst @@ -36,7 +36,7 @@ The final BAM is quality controlled using WgsMetricsAlgo and CoverageMetrics fro Results of the quality controlled steps were summarized by MultiQC v1.12 :superscript:`7`. Small somatic mutations (SNVs and INDELs) were called for each sample using Sentieon TNscope :superscript:`16`. The called-variants were also further second filtered using the criteria (DP(tumor,normal) >= 10; AD(tumor) >= 3; AF(tumor) >= 0.05, Maximum AF(tumor < 1; GNOMADAF_popmax <= 0.001; normalized base quality scores >= 20, read_counts of alt,ref alle > 0). -Structural variants were called using Manta v1.6.0 :superscript:`9`, Delly v1.0.3 :superscript:`10` and TIDDIT v3.3.2 :superscript:`12`. +Structural variants were called using Manta v1.6.0 :superscript:`9`, Delly v1.0.3 :superscript:`10` and TIDDIT v3.8.0 :superscript:`12`. Copy number variations (CNV) were called using ascatNgs v4.5.0 :superscript:`17` (tumor-normal), Delly v1.0.3 :superscript:`10` and CNVpytor v1.3.1 :superscript:`22` (tumor-only) and converted from CNV to deletions (DEL) and duplications (DUP). The structural variant (SV) calls from Manta, Delly, TIDDIT, ascatNgs (tumor-normal) and CNVpytor (tumor-only) were merged using SVDB v2.8.1 :superscript:`12` The clinical set of SNV and SV is also annotated and filtered against loqusDB curated frequency of observed variants (frequency < 0.01) from non-cancer cases and only annotated using frequency of observed variants from cancer cases (somatic and germline). diff --git a/docs/bioinfo_softwares.rst b/docs/bioinfo_softwares.rst index c49b34844..3e752021a 100644 --- a/docs/bioinfo_softwares.rst +++ b/docs/bioinfo_softwares.rst @@ -146,7 +146,7 @@ tiddit ~~~~~~ :Source code: `Github` ``_ :Article: `F1000Res` ``_ -:Version: `3.3.2` +:Version: `3.8.0` vardict ~~~~~~~ diff --git a/tests/test_data/config.json b/tests/test_data/config.json index ec9a4f511..889577f85 100644 --- a/tests/test_data/config.json +++ b/tests/test_data/config.json @@ -205,7 +205,7 @@ "gatk": ["3.8"], "samtools": ["1.15.1", "1.9"], "svdb": ["2.8.1"], - "tiddit": ["3.3.2"], + "tiddit": ["3.8.0"], "vardict": ["2019.06.04"], "somalier": ["0.2.16"], "delly": ["1.0.3"], diff --git a/tests/test_data/config_pon.json b/tests/test_data/config_pon.json index 7ef3dd26b..cbff98963 100644 --- a/tests/test_data/config_pon.json +++ b/tests/test_data/config_pon.json @@ -70,7 +70,7 @@ "bwa": ["0.7.17"], "gatk": ["3.8"], "svdb": ["2.8.1"], - "tiddit": ["3.3.2"], + "tiddit": ["3.8.0"], "vardict": ["2019.06.04"], "csvkit": ["1.0.7"], "fastp": ["0.23.2"], From 9b93b9ecfb18683a4ddadcd0b9c55a7b99539125 Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 6 Aug 2024 11:34:07 +0200 Subject: [PATCH 02/38] CHANGELOG --- CHANGELOG.rst | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.rst b/CHANGELOG.rst index b05912b31..73e7284c1 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -13,6 +13,7 @@ Changed: * `SLEEP_BEFORE_START` to 600s https://github.com/Clinical-Genomics/BALSAMIC/pull/1372 * Updated Multiqc to version 1.22.3 https://github.com/Clinical-Genomics/BALSAMIC/pull/1441 * Upgrade `vcf2cytosure` version to 0.9.1 and remove hardcoded versions https://github.com/Clinical-Genomics/BALSAMIC/pull/1456 +* Upgrade `TIDDIT` version to 3.8.0 https://github.com/Clinical-Genomics/BALSAMIC/pull/1469 Removed: ^^^^^^^^ From ebaef449b4d0987dba4e3510580b543891720146 Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 6 Aug 2024 11:50:12 +0200 Subject: [PATCH 03/38] changelog --- CHANGELOG.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.rst b/CHANGELOG.rst index 73e7284c1..e66a08736 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -13,7 +13,7 @@ Changed: * `SLEEP_BEFORE_START` to 600s https://github.com/Clinical-Genomics/BALSAMIC/pull/1372 * Updated Multiqc to version 1.22.3 https://github.com/Clinical-Genomics/BALSAMIC/pull/1441 * Upgrade `vcf2cytosure` version to 0.9.1 and remove hardcoded versions https://github.com/Clinical-Genomics/BALSAMIC/pull/1456 -* Upgrade `TIDDIT` version to 3.8.0 https://github.com/Clinical-Genomics/BALSAMIC/pull/1469 +* Upgrade `TIDDIT` version to 3.8.0 https://github.com/Clinical-Genomics/BALSAMIC/pull/1470 Removed: ^^^^^^^^ From 4298b857d0b1b1c81fa54dfe9c66836e0433d4ef Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 6 Aug 2024 12:00:45 +0200 Subject: [PATCH 04/38] Use WORKDIR --- BALSAMIC/containers/varcall_py3/Dockerfile | 28 +++++++++++++--------- 1 file changed, 17 insertions(+), 11 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 141861c72..638bb3a8a 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -1,22 +1,28 @@ FROM continuumio/miniconda3:4.10.3-alpine -LABEL base.image="continuumio/miniconda3:4.10.3-alpine" -LABEL about.home="https://github.com/Clinical-Genomics/BALSAMIC" -LABEL about.documentation="https://balsamic.readthedocs.io/" -LABEL about.license="MIT License (MIT)" -LABEL about.description="Bioinformatic analysis pipeline for somatic mutations in cancer" +LABEL base.image="continuumio/miniconda3:4.10.3-alpine" \ + about.home="https://github.com/Clinical-Genomics/BALSAMIC" \ + about.documentation="https://balsamic.readthedocs.io/" \ + about.license="MIT License (MIT)" \ + about.description="Bioinformatic analysis pipeline for somatic mutations in cancer" ENV PATH="/opt/conda/bin/:${PATH}" +# Install necessary packages RUN apk add --no-cache bash gcc git -ARG WORK_DIR=project ARG CONTAINER_NAME -# Copy all project files -COPY . /${WORK_DIR} +# Set the working directory +WORKDIR /project -RUN cd /${WORK_DIR}/BALSAMIC/containers/${CONTAINER_NAME}/ && /bin/sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} +# Copy all project files to WORKDIR +COPY . . -# Clean work environment -RUN rm -rf /${WORK_DIR:?} && conda clean --all --yes +# Execute the container specific script +WORKDIR /project/BALSAMIC/containers/${CONTAINER_NAME} +RUN /bin/sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} + +# Clean up work environment +WORKDIR / +RUN rm -rf /project && conda clean --all --yes From af3a17777bcc294890e56ccd1ce42109a72499f0 Mon Sep 17 00:00:00 2001 From: Vadym Date: Thu, 8 Aug 2024 13:24:15 +0200 Subject: [PATCH 05/38] Upgrade NIM somalier --- BALSAMIC/containers/somalier/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index f3a40d890..b8a679eff 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -6,7 +6,7 @@ LABEL about.documentation="https://balsamic.readthedocs.io/" LABEL about.license="MIT License (MIT)" LABEL about.description="Bioinformatic analysis pipeline for somatic mutations in cancer" -ARG nim_version=1.6.6 +ARG nim_version=2.0.8 ENV CFLAGS="-fPIC -O3" From c693f6e8bb6843de6b6ad39cf64950c3bbf4a633 Mon Sep 17 00:00:00 2001 From: Vadym Date: Thu, 8 Aug 2024 13:45:27 +0200 Subject: [PATCH 06/38] 3.7 --- BALSAMIC/containers/varcall_py3/varcall_py3.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml index 7b63b41e4..05a89fb01 100644 --- a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml +++ b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml @@ -163,7 +163,7 @@ dependencies: - svdb=2.8.1 - sysroot_linux-64=2.12 - tabix=1.11 - - tiddit=3.8.0 + - tiddit=3.7.0 - tk=8.6.12 - tktable=2.10 - toolz=0.12.0 From 39ec175cf566e5f12b497621cc34c31799b8f534 Mon Sep 17 00:00:00 2001 From: Vadym Date: Thu, 8 Aug 2024 14:45:47 +0200 Subject: [PATCH 07/38] bump somalier --- BALSAMIC/containers/somalier/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index b8a679eff..bd6c2def8 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -41,7 +41,7 @@ RUN cd / && \ cd ../ && rm -rf htslib bcftools RUN cd / && \ - git clone -b v0.2.16 --depth 1 https://github.com/brentp/somalier.git && \ + git clone -b v0.2.19 --depth 1 https://github.com/brentp/somalier.git && \ cd somalier && \ nimble install -y nimble && \ /root/.nimble/bin/nimble install -d -y From 3ed2dbdd3c6de28627dd5389bbcf15b5843187d2 Mon Sep 17 00:00:00 2001 From: Vadym Date: Thu, 8 Aug 2024 15:23:23 +0200 Subject: [PATCH 08/38] slivar --- BALSAMIC/containers/somalier/Dockerfile | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index bd6c2def8..9ab0653dc 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -44,7 +44,8 @@ RUN cd / && \ git clone -b v0.2.19 --depth 1 https://github.com/brentp/somalier.git && \ cd somalier && \ nimble install -y nimble && \ - /root/.nimble/bin/nimble install -d -y + /root/.nimble/bin/nimble install -d -y && \ + nimble install -y slivar RUN cd /somalier && \ nim c -d:danger -d:nsb_static -d:release -d:openmp -d:blas=openblas -d:lapack=openblas -o:/usr/bin/somalier src/somalier && \ From fb11525c616ca22221ad7689babaed37daea214b Mon Sep 17 00:00:00 2001 From: Vadym Date: Thu, 8 Aug 2024 15:29:53 +0200 Subject: [PATCH 09/38] downgrade somalier --- BALSAMIC/containers/somalier/Dockerfile | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index 9ab0653dc..9bf48272a 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -6,7 +6,7 @@ LABEL about.documentation="https://balsamic.readthedocs.io/" LABEL about.license="MIT License (MIT)" LABEL about.description="Bioinformatic analysis pipeline for somatic mutations in cancer" -ARG nim_version=2.0.8 +ARG nim_version=1.6.6 ENV CFLAGS="-fPIC -O3" @@ -44,8 +44,7 @@ RUN cd / && \ git clone -b v0.2.19 --depth 1 https://github.com/brentp/somalier.git && \ cd somalier && \ nimble install -y nimble && \ - /root/.nimble/bin/nimble install -d -y && \ - nimble install -y slivar + /root/.nimble/bin/nimble install -d -y && RUN cd /somalier && \ nim c -d:danger -d:nsb_static -d:release -d:openmp -d:blas=openblas -d:lapack=openblas -o:/usr/bin/somalier src/somalier && \ From 9f92c8ff48e1d9ac0b7be0ae7870b54d64304736 Mon Sep 17 00:00:00 2001 From: Vadym Date: Thu, 8 Aug 2024 15:32:40 +0200 Subject: [PATCH 10/38] typo --- BALSAMIC/containers/somalier/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index 9bf48272a..aca55e2e4 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -44,7 +44,7 @@ RUN cd / && \ git clone -b v0.2.19 --depth 1 https://github.com/brentp/somalier.git && \ cd somalier && \ nimble install -y nimble && \ - /root/.nimble/bin/nimble install -d -y && + /root/.nimble/bin/nimble install -d -y RUN cd /somalier && \ nim c -d:danger -d:nsb_static -d:release -d:openmp -d:blas=openblas -d:lapack=openblas -o:/usr/bin/somalier src/somalier && \ From 1d6b0b69606167fd32f4fb2d56ab7d8861713fbf Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 10:42:11 +0200 Subject: [PATCH 11/38] base somalier consdkhshdsd --- BALSAMIC/containers/somalier/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index aca55e2e4..f3a40d890 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -41,7 +41,7 @@ RUN cd / && \ cd ../ && rm -rf htslib bcftools RUN cd / && \ - git clone -b v0.2.19 --depth 1 https://github.com/brentp/somalier.git && \ + git clone -b v0.2.16 --depth 1 https://github.com/brentp/somalier.git && \ cd somalier && \ nimble install -y nimble && \ /root/.nimble/bin/nimble install -d -y From 6bdb554fe39f75feecb9014ce29fe05c4dd55101 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 10:48:49 +0200 Subject: [PATCH 12/38] comment somalier --- BALSAMIC/containers/somalier/Dockerfile | 100 ++++++++++++------------ 1 file changed, 50 insertions(+), 50 deletions(-) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index f3a40d890..e23c40406 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -6,54 +6,54 @@ LABEL about.documentation="https://balsamic.readthedocs.io/" LABEL about.license="MIT License (MIT)" LABEL about.description="Bioinformatic analysis pipeline for somatic mutations in cancer" -ARG nim_version=1.6.6 - -ENV CFLAGS="-fPIC -O3" - -RUN apk add --no-cache wget git autoconf tar xz xz-dev bzip2-dev curl curl-dev bash libzip-dev cmake openblas-dev build-base - -RUN mkdir -p /usr/local/include && \ - git clone --depth 1 https://github.com/ebiggers/libdeflate.git && \ - cd libdeflate && cmake -B build && cmake --build build && \ - cp /libdeflate/build/libdeflate.a /usr/local/lib && cp /libdeflate/libdeflate.h /usr/local/include && \ - cd .. && rm -rf libdeflate - -RUN cd / && \ - wget -q https://nim-lang.org/download/nim-${nim_version}-linux_x64.tar.xz && \ - tar xf nim-${nim_version}-linux_x64.tar.xz && \ - echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bashrc && \ - echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bash_profile && \ - echo 'PATH=/nim-${nim_version}/bin:$PATH' >> /etc/environment && \ - rm -f nim-${nim_version}-linux_x64.tar.xz - -ENV PATH=/nim-${nim_version}/bin/:$PATH - -RUN cd / && \ - git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/htslib && \ - cd htslib && autoheader && autoconf && \ - ./configure --enable-s3 --enable-gcs --enable-libcurl --with-libdeflate && \ - make -j4 CFLAGS="-fPIC -O3" install && \ - cd ../ && \ - git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/bcftools && \ - cd bcftools && autoheader && autoconf && \ - ./configure --enable-s3 --enable-libcurl --with-libdeflate && \ - make -j4 CFLAGS="-fPIC -O3" install && \ - cd ../ && rm -rf htslib bcftools - -RUN cd / && \ - git clone -b v0.2.16 --depth 1 https://github.com/brentp/somalier.git && \ - cd somalier && \ - nimble install -y nimble && \ - /root/.nimble/bin/nimble install -d -y - -RUN cd /somalier && \ - nim c -d:danger -d:nsb_static -d:release -d:openmp -d:blas=openblas -d:lapack=openblas -o:/usr/bin/somalier src/somalier && \ - cp scripts/ancestry-labels-1kg.tsv / && \ - rm -rf /somalier && somalier --help - -ENV somalier_ancestry_labels /ancestry_labels-1kg.tsv - -RUN adduser -D defaultuser - -USER defaultuser +#ARG nim_version=1.6.6 +# +#ENV CFLAGS="-fPIC -O3" +# +#RUN apk add --no-cache wget git autoconf tar xz xz-dev bzip2-dev curl curl-dev bash libzip-dev cmake openblas-dev build-base +# +#RUN mkdir -p /usr/local/include && \ +# git clone --depth 1 https://github.com/ebiggers/libdeflate.git && \ +# cd libdeflate && cmake -B build && cmake --build build && \ +# cp /libdeflate/build/libdeflate.a /usr/local/lib && cp /libdeflate/libdeflate.h /usr/local/include && \ +# cd .. && rm -rf libdeflate +# +#RUN cd / && \ +# wget -q https://nim-lang.org/download/nim-${nim_version}-linux_x64.tar.xz && \ +# tar xf nim-${nim_version}-linux_x64.tar.xz && \ +# echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bashrc && \ +# echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bash_profile && \ +# echo 'PATH=/nim-${nim_version}/bin:$PATH' >> /etc/environment && \ +# rm -f nim-${nim_version}-linux_x64.tar.xz +# +#ENV PATH=/nim-${nim_version}/bin/:$PATH +# +#RUN cd / && \ +# git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/htslib && \ +# cd htslib && autoheader && autoconf && \ +# ./configure --enable-s3 --enable-gcs --enable-libcurl --with-libdeflate && \ +# make -j4 CFLAGS="-fPIC -O3" install && \ +# cd ../ && \ +# git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/bcftools && \ +# cd bcftools && autoheader && autoconf && \ +# ./configure --enable-s3 --enable-libcurl --with-libdeflate && \ +# make -j4 CFLAGS="-fPIC -O3" install && \ +# cd ../ && rm -rf htslib bcftools +# +#RUN cd / && \ +# git clone -b v0.2.16 --depth 1 https://github.com/brentp/somalier.git && \ +# cd somalier && \ +# nimble install -y nimble && \ +# /root/.nimble/bin/nimble install -d -y +# +#RUN cd /somalier && \ +# nim c -d:danger -d:nsb_static -d:release -d:openmp -d:blas=openblas -d:lapack=openblas -o:/usr/bin/somalier src/somalier && \ +# cp scripts/ancestry-labels-1kg.tsv / && \ +# rm -rf /somalier && somalier --help +# +#ENV somalier_ancestry_labels /ancestry_labels-1kg.tsv +# +#RUN adduser -D defaultuser +# +#USER defaultuser From 6db13ef36c5b6db8cb310e2cfdfd4f7e3769e41c Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 10:51:36 +0200 Subject: [PATCH 13/38] :) --- BALSAMIC/containers/somalier/Dockerfile | 3 +++ 1 file changed, 3 insertions(+) diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index e23c40406..868893c38 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -6,6 +6,9 @@ LABEL about.documentation="https://balsamic.readthedocs.io/" LABEL about.license="MIT License (MIT)" LABEL about.description="Bioinformatic analysis pipeline for somatic mutations in cancer" +WORKDIR /app +CMD ["sh"] + #ARG nim_version=1.6.6 # #ENV CFLAGS="-fPIC -O3" From a624f243b4ec89a1b20e7d7f9f44165817a19f7f Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 10:54:09 +0200 Subject: [PATCH 14/38] deactivate somalier --- .../docker_build_publish_develop.yml | 2 +- BALSAMIC/containers/somalier/Dockerfile | 103 +++++++++--------- 2 files changed, 51 insertions(+), 54 deletions(-) diff --git a/.github/workflows/docker_build_publish_develop.yml b/.github/workflows/docker_build_publish_develop.yml index fde5a4faf..4e858c8d8 100644 --- a/.github/workflows/docker_build_publish_develop.yml +++ b/.github/workflows/docker_build_publish_develop.yml @@ -15,7 +15,7 @@ jobs: strategy: fail-fast: true matrix: - container-name: [align_qc, annotate, ascatNgs, cadd, cnvkit, cnvpytor, coverage_qc, delly, gatk, htslib, multiqc, msisensorpro, purecn, somalier, varcall_py3, varcall_py27, vcf2cytosure] + container-name: [align_qc, annotate, ascatNgs, cadd, cnvkit, cnvpytor, coverage_qc, delly, gatk, htslib, multiqc, msisensorpro, purecn, varcall_py3, varcall_py27, vcf2cytosure] steps: - name: Git checkout id: git_checkout diff --git a/BALSAMIC/containers/somalier/Dockerfile b/BALSAMIC/containers/somalier/Dockerfile index 868893c38..f3a40d890 100644 --- a/BALSAMIC/containers/somalier/Dockerfile +++ b/BALSAMIC/containers/somalier/Dockerfile @@ -6,57 +6,54 @@ LABEL about.documentation="https://balsamic.readthedocs.io/" LABEL about.license="MIT License (MIT)" LABEL about.description="Bioinformatic analysis pipeline for somatic mutations in cancer" -WORKDIR /app -CMD ["sh"] - -#ARG nim_version=1.6.6 -# -#ENV CFLAGS="-fPIC -O3" -# -#RUN apk add --no-cache wget git autoconf tar xz xz-dev bzip2-dev curl curl-dev bash libzip-dev cmake openblas-dev build-base -# -#RUN mkdir -p /usr/local/include && \ -# git clone --depth 1 https://github.com/ebiggers/libdeflate.git && \ -# cd libdeflate && cmake -B build && cmake --build build && \ -# cp /libdeflate/build/libdeflate.a /usr/local/lib && cp /libdeflate/libdeflate.h /usr/local/include && \ -# cd .. && rm -rf libdeflate -# -#RUN cd / && \ -# wget -q https://nim-lang.org/download/nim-${nim_version}-linux_x64.tar.xz && \ -# tar xf nim-${nim_version}-linux_x64.tar.xz && \ -# echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bashrc && \ -# echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bash_profile && \ -# echo 'PATH=/nim-${nim_version}/bin:$PATH' >> /etc/environment && \ -# rm -f nim-${nim_version}-linux_x64.tar.xz -# -#ENV PATH=/nim-${nim_version}/bin/:$PATH -# -#RUN cd / && \ -# git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/htslib && \ -# cd htslib && autoheader && autoconf && \ -# ./configure --enable-s3 --enable-gcs --enable-libcurl --with-libdeflate && \ -# make -j4 CFLAGS="-fPIC -O3" install && \ -# cd ../ && \ -# git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/bcftools && \ -# cd bcftools && autoheader && autoconf && \ -# ./configure --enable-s3 --enable-libcurl --with-libdeflate && \ -# make -j4 CFLAGS="-fPIC -O3" install && \ -# cd ../ && rm -rf htslib bcftools -# -#RUN cd / && \ -# git clone -b v0.2.16 --depth 1 https://github.com/brentp/somalier.git && \ -# cd somalier && \ -# nimble install -y nimble && \ -# /root/.nimble/bin/nimble install -d -y -# -#RUN cd /somalier && \ -# nim c -d:danger -d:nsb_static -d:release -d:openmp -d:blas=openblas -d:lapack=openblas -o:/usr/bin/somalier src/somalier && \ -# cp scripts/ancestry-labels-1kg.tsv / && \ -# rm -rf /somalier && somalier --help -# -#ENV somalier_ancestry_labels /ancestry_labels-1kg.tsv -# -#RUN adduser -D defaultuser -# -#USER defaultuser +ARG nim_version=1.6.6 + +ENV CFLAGS="-fPIC -O3" + +RUN apk add --no-cache wget git autoconf tar xz xz-dev bzip2-dev curl curl-dev bash libzip-dev cmake openblas-dev build-base + +RUN mkdir -p /usr/local/include && \ + git clone --depth 1 https://github.com/ebiggers/libdeflate.git && \ + cd libdeflate && cmake -B build && cmake --build build && \ + cp /libdeflate/build/libdeflate.a /usr/local/lib && cp /libdeflate/libdeflate.h /usr/local/include && \ + cd .. && rm -rf libdeflate + +RUN cd / && \ + wget -q https://nim-lang.org/download/nim-${nim_version}-linux_x64.tar.xz && \ + tar xf nim-${nim_version}-linux_x64.tar.xz && \ + echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bashrc && \ + echo 'PATH=/nim-${nim_version}/bin:$PATH' >> ~/.bash_profile && \ + echo 'PATH=/nim-${nim_version}/bin:$PATH' >> /etc/environment && \ + rm -f nim-${nim_version}-linux_x64.tar.xz + +ENV PATH=/nim-${nim_version}/bin/:$PATH + +RUN cd / && \ + git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/htslib && \ + cd htslib && autoheader && autoconf && \ + ./configure --enable-s3 --enable-gcs --enable-libcurl --with-libdeflate && \ + make -j4 CFLAGS="-fPIC -O3" install && \ + cd ../ && \ + git clone --depth 1 -b 1.15 --recursive https://github.com/samtools/bcftools && \ + cd bcftools && autoheader && autoconf && \ + ./configure --enable-s3 --enable-libcurl --with-libdeflate && \ + make -j4 CFLAGS="-fPIC -O3" install && \ + cd ../ && rm -rf htslib bcftools + +RUN cd / && \ + git clone -b v0.2.16 --depth 1 https://github.com/brentp/somalier.git && \ + cd somalier && \ + nimble install -y nimble && \ + /root/.nimble/bin/nimble install -d -y + +RUN cd /somalier && \ + nim c -d:danger -d:nsb_static -d:release -d:openmp -d:blas=openblas -d:lapack=openblas -o:/usr/bin/somalier src/somalier && \ + cp scripts/ancestry-labels-1kg.tsv / && \ + rm -rf /somalier && somalier --help + +ENV somalier_ancestry_labels /ancestry_labels-1kg.tsv + +RUN adduser -D defaultuser + +USER defaultuser From dabb106caaf281e91925ee3cb8875d31e58beccb Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 11:08:08 +0200 Subject: [PATCH 15/38] Clean Dockerfile --- BALSAMIC/containers/varcall_py3/Dockerfile | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 638bb3a8a..c1ef9e1d6 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -16,12 +16,14 @@ ARG CONTAINER_NAME # Set the working directory WORKDIR /project -# Copy all project files to WORKDIR -COPY . . +# Copy the relevant container folder into the image +COPY BALSAMIC/containers/${CONTAINER_NAME}/ /project/BALSAMIC/containers/${CONTAINER_NAME}/ -# Execute the container specific script +# Set the working directory to the container directory WORKDIR /project/BALSAMIC/containers/${CONTAINER_NAME} -RUN /bin/sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} + +# Run the script +RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Clean up work environment WORKDIR / From 4e9b268e7c3055104f1a5e1fbe37746d568c26ed Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 11:37:12 +0200 Subject: [PATCH 16/38] Minimum version w/o tiddit --- .../containers/varcall_py3/varcall_py3.yaml | 200 ++---------------- 1 file changed, 14 insertions(+), 186 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml index 05a89fb01..3f329e673 100644 --- a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml +++ b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml @@ -5,189 +5,17 @@ channels: - defaults dependencies: - - _libgcc_mutex=0.1 - - _openmp_mutex=4.5 - - _r-mutex=1.0.1 - - bcftools=1.15.1 - - bfc=r181 - - binutils_impl_linux-64=2.35.1 - - binutils_linux-64=2.35 - - brotlipy=0.7.0 - - bwa=0.7.17 - - bwidget=1.9.14 - - bzip2=1.0.8 - - c-ares=1.18.1 - - ca-certificates=2022.12.7 - - cairo=1.16.0 - - certifi=2022.12.7 - - cffi=1.14.6 - - chardet=4.0.0 - - click=8.0.4 - - coloredlogs=15.0.1 - - conda=23.1.0 - - conda-package-handling=2.0.2 - - conda-package-streaming=0.7.0 - - cryptography=39.0.0 - - curl=7.86.0 - - cyvcf2=0.30.16 - - expat=2.5.0 - - fermi2=r193 - - font-ttf-dejavu-sans-mono=2.37 - - font-ttf-inconsolata=3.000 - - font-ttf-source-code-pro=2.038 - - font-ttf-ubuntu=0.83 - - fontconfig=2.14.2 - - fonts-conda-ecosystem=1 - - fonts-conda-forge=1 - - freetype=2.12.1 - - fribidi=1.0.10 - - gcc_impl_linux-64=9.3.0 - - gcc_linux-64=9.3.0 - - gettext=0.21.1 - - gfortran_impl_linux-64=9.3.0 - - gfortran_linux-64=9.3.0 - - graphite2=1.3.13 - - gsl=2.7 - - gxx_impl_linux-64=9.3.0 - - gxx_linux-64=9.3.0 - - harfbuzz=3.0.0 - - htslib=1.15.1 - - humanfriendly=10.0 - - icu=68.2 - - idna=2.10 - - joblib=1.2.0 - - jpeg=9e - - kernel-headers_linux-64=2.6.32 - - keyutils=1.6.1 - - krb5=1.19.3 - - ld_impl_linux-64=2.35.1 - - lerc=3.0 - - libblas=3.9.0 - - libcblas=3.9.0 - - libcurl=7.86.0 - - libdeflate=1.10 - - libedit=3.1.20191231 - - libev=4.33 - - libffi=3.3 - - libgcc-devel_linux-64=9.3.0 - - libgcc-ng=12.2.0 - - libgfortran-ng=9.5.0 - - libgfortran5=9.5.0 - - libglib=2.68.4 - - libgomp=12.2.0 - - libiconv=1.17 - - liblapack=3.9.0 - - libnghttp2=1.51.0 - - libopenblas=0.3.18 - - libpng=1.6.39 - - libssh2=1.10.0 - - libstdcxx-devel_linux-64=9.3.0 - - libstdcxx-ng=12.2.0 - - libtiff=4.4.0 - - libuuid=2.32.1 - - libwebp-base=1.2.4 - - libxcb=1.13 - - libxml2=2.9.12 - - libzlib=1.2.13 - - make=4.3 - - ncurses=6.3 - - numpy=1.24.2 - - openjdk=8.0.332 - - openssl=1.1.1t - - pango=1.48.10 - - pcre=8.45 - - pcre2=10.37 - - perl=5.26.2 - - pip=23.0.1 - - pixman=0.40.0 - - pluggy=1.0.0 - - pthread-stubs=0.4 - - pycosat=0.6.4 - - pycparser=2.20 - - pyopenssl=20.0.1 - - pysam=0.19.1 - - pysocks=1.7.1 - - python=3.8.12 - - python_abi=3.8 - - r-base=4.1.1 - - r-bitops=1.0_7 - - r-catools=1.18.2 - - r-cli=3.6.0 - - r-colorspace=2.1_0 - - r-crayon=1.5.2 - - r-ellipsis=0.3.2 - - r-fansi=1.0.4 - - r-farver=2.1.1 - - r-ggplot2=3.4.1 - - r-glue=1.6.2 - - r-gplots=3.1.3 - - r-gsalib=2.2.1 - - r-gtable=0.3.1 - - r-gtools=3.9.4 - - r-isoband=0.2.7 - - r-kernsmooth=2.23_20 - - r-labeling=0.4.2 - - r-lattice=0.20_45 - - r-lifecycle=1.0.3 - - r-magrittr=2.0.3 - - r-mass=7.3_58.2 - - r-matrix=1.5_3 - - r-mgcv=1.8_41 - - r-munsell=0.5.0 - - r-nlme=3.1_155 - - r-pillar=1.8.1 - - r-pkgconfig=2.0.3 - - r-plyr=1.8.8 - - r-r6=2.5.1 - - r-rcolorbrewer=1.1_3 - - r-rcpp=1.0.10 - - r-reshape=0.8.9 - - r-rlang=1.0.6 - - r-scales=1.2.1 - - r-tibble=3.1.8 - - r-utf8=1.2.3 - - r-vctrs=0.5.2 - - r-viridislite=0.4.1 - - r-withr=2.5.0 - - readline=8.1.2 - - requests=2.25.1 - - ropebwt2=r187 - - ruamel.yaml=0.17.21 - - ruamel.yaml.clib=0.2.7 - - samtools=1.15.1 - - sed=4.8 - - seqtk=1.3 - - setuptools=67.4.0 - - six=1.16.0 - - sqlite=3.36.0 - - svdb=2.8.1 - - sysroot_linux-64=2.12 - - tabix=1.11 - - tiddit=3.7.0 - - tk=8.6.12 - - tktable=2.10 - - toolz=0.12.0 - - tqdm=4.61.2 - - tzdata=2021a - - urllib3=1.26.6 - - vardict=2019.06.04 - - vardict-java=1.8.3 - - vcfpy=0.13.4 - - wheel=0.36.2 - - xorg-kbproto=1.0.7 - - xorg-libice=1.0.10 - - xorg-libsm=1.2.3 - - xorg-libx11=1.7.2 - - xorg-libxau=1.0.9 - - xorg-libxdmcp=1.1.3 - - xorg-libxext=1.3.4 - - xorg-libxrender=0.9.10 - - xorg-libxt=1.2.1 - - xorg-renderproto=0.11.1 - - xorg-xextproto=7.3.0 - - xorg-xproto=7.0.31 - - xz=5.2.5 - - yaml=0.2.5 - - zlib=1.2.13 - - zstandard=0.19.0 - - zstd=1.5.2 + - anaconda::python=3.8 + - anaconda::click=8.0.4 + - bioconda::bcftools=1.15 + - bioconda::tabix=1.11 + - bioconda::samtools=1.15 + - bioconda::gatk=3.8 + - bioconda::vardict=2019.06.04 + - bioconda::vardict-java=1.8.3 + - bioconda::svdb=2.8.1 + - bioconda::vcfpy=0.13.4 + - bioconda::cyvcf2=0.30.16 + - bioconda::bwa=0.7.17 + - conda-forge::libiconv + - conda-forge::r-base=4.1.1 From db910e758bf2c45d09eae852dab78c7c86f7c806 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 12:57:35 +0200 Subject: [PATCH 17/38] resturcture install --- BALSAMIC/containers/varcall_py3/Dockerfile | 14 +++++++++----- 1 file changed, 9 insertions(+), 5 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index c1ef9e1d6..b0a2b17fe 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -13,18 +13,22 @@ RUN apk add --no-cache bash gcc git ARG CONTAINER_NAME -# Set the working directory -WORKDIR /project - -# Copy the relevant container folder into the image +# Copy the container folder into the image COPY BALSAMIC/containers/${CONTAINER_NAME}/ /project/BALSAMIC/containers/${CONTAINER_NAME}/ # Set the working directory to the container directory WORKDIR /project/BALSAMIC/containers/${CONTAINER_NAME} -# Run the script +# Run the package installation script RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} +# Install TIDDIT +WORKDIR /project +RUN python -m pip install --upgrade pip +#RUN git clone --branch v3.8.0 --single-branch https://github.com/TIDDIT/TIDDIT.git && \ +# cd TIDDIT && \ +# pip install . \ + # Clean up work environment WORKDIR / RUN rm -rf /project && conda clean --all --yes From 6a8bf52cc682a0d6d83b27d881bc0f02bc2ffebc Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 13:05:24 +0200 Subject: [PATCH 18/38] only build varcall py3 --- .github/workflows/docker_build_publish_develop.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/docker_build_publish_develop.yml b/.github/workflows/docker_build_publish_develop.yml index 4e858c8d8..6a9a55f0a 100644 --- a/.github/workflows/docker_build_publish_develop.yml +++ b/.github/workflows/docker_build_publish_develop.yml @@ -15,7 +15,7 @@ jobs: strategy: fail-fast: true matrix: - container-name: [align_qc, annotate, ascatNgs, cadd, cnvkit, cnvpytor, coverage_qc, delly, gatk, htslib, multiqc, msisensorpro, purecn, varcall_py3, varcall_py27, vcf2cytosure] + container-name: [varcall_py3] steps: - name: Git checkout id: git_checkout From 569646783bab203e42190df3f8affa9481e2e357 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 13:09:09 +0200 Subject: [PATCH 19/38] split rm --- BALSAMIC/containers/varcall_py3/Dockerfile | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index b0a2b17fe..80befd25e 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -31,4 +31,5 @@ RUN python -m pip install --upgrade pip # Clean up work environment WORKDIR / -RUN rm -rf /project && conda clean --all --yes +RUN rm -rf /project +RUN conda clean --all --yes From 521c6270851edec2f122a0c1fc816495f39b3bb8 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 13:25:57 +0200 Subject: [PATCH 20/38] Upgrade requests --- BALSAMIC/containers/varcall_py3/Dockerfile | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 80befd25e..27e4ef791 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,8 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade pip +RUN python -m pip install --upgrade pip && \ + pip install --upgrade requests #RUN git clone --branch v3.8.0 --single-branch https://github.com/TIDDIT/TIDDIT.git && \ # cd TIDDIT && \ # pip install . \ From 1232bafe5f2e00040b6c44e1837b06344bcc88ff Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 13:42:30 +0200 Subject: [PATCH 21/38] Install TIDDIT --- BALSAMIC/containers/varcall_py3/Dockerfile | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 27e4ef791..17089eb43 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -25,10 +25,10 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project RUN python -m pip install --upgrade pip && \ - pip install --upgrade requests -#RUN git clone --branch v3.8.0 --single-branch https://github.com/TIDDIT/TIDDIT.git && \ -# cd TIDDIT && \ -# pip install . \ + pip install --upgrade requests && \ + git clone --branch v3.8.0 --single-branch https://github.com/TIDDIT/TIDDIT.git && \ + cd TIDDIT && \ + pip install . # Clean up work environment WORKDIR / From 35a7f00a369ebab125894e4c641024e4c288303a Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 13:52:55 +0200 Subject: [PATCH 22/38] link typo --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 17089eb43..b7119f80e 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -26,7 +26,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} WORKDIR /project RUN python -m pip install --upgrade pip && \ pip install --upgrade requests && \ - git clone --branch v3.8.0 --single-branch https://github.com/TIDDIT/TIDDIT.git && \ + git clone --branch v3.8.0 --single-branch https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From 623f45096208fbd7a753fbe1efcd24adb255cc46 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 14:21:28 +0200 Subject: [PATCH 23/38] weird version --- BALSAMIC/containers/varcall_py3/Dockerfile | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index b7119f80e..a66e7c2dd 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,9 +24,8 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade pip && \ - pip install --upgrade requests && \ - git clone --branch v3.8.0 --single-branch https://github.com/SciLifeLab/TIDDIT.git && \ +RUN python -m pip install --upgrade pip requests && \ + git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From 27c727c9bf6f7cb1bf279e36a732af4a95fcf8b5 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 14:29:13 +0200 Subject: [PATCH 24/38] multpel rurns --- BALSAMIC/containers/varcall_py3/Dockerfile | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index a66e7c2dd..1c6103e99 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -31,5 +31,4 @@ RUN python -m pip install --upgrade pip requests && \ # Clean up work environment WORKDIR / -RUN rm -rf /project -RUN conda clean --all --yes +RUN rm -rf /project && conda clean --all --yes From a8aad12356c080c86831cb378d7e14a9d7b89d91 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 14:39:39 +0200 Subject: [PATCH 25/38] en fin... --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 1c6103e99..1589dbc52 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade pip requests && \ +RUN python -m pip install --upgrade pip requests pyximport && \ git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From e81aeac0323f65923da491e3a76ce2894c78ad2d Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 15:01:21 +0200 Subject: [PATCH 26/38] cython --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 1589dbc52..f0fc15d4c 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade pip requests pyximport && \ +RUN python -m pip install --upgrade pip requests cython && \ git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From 23e9a75fe2731ef0edfc0d6b46df457b0a261fa3 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 15:12:44 +0200 Subject: [PATCH 27/38] musl dev --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index f0fc15d4c..425c36e5a 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -9,7 +9,7 @@ LABEL base.image="continuumio/miniconda3:4.10.3-alpine" \ ENV PATH="/opt/conda/bin/:${PATH}" # Install necessary packages -RUN apk add --no-cache bash gcc git +RUN apk add --no-cache bash gcc git musl-dev ARG CONTAINER_NAME From a22a2fcb91cddcf0144108f14d4f98859d54f7b4 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 15:28:15 +0200 Subject: [PATCH 28/38] removing requests --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 425c36e5a..270c54ac8 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade pip requests cython && \ +RUN python -m pip install --upgrade pip cython && \ git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From e48dd7087f1a642c541442e6f75f08dd82ce6522 Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 15:46:31 +0200 Subject: [PATCH 29/38] requests --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 270c54ac8..425c36e5a 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade pip cython && \ +RUN python -m pip install --upgrade pip requests cython && \ git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From 7dbb234da799f48c2683ca834cac72d912c7445c Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 15:50:27 +0200 Subject: [PATCH 30/38] ABC --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 425c36e5a..f1fd745fc 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade pip requests cython && \ +RUN python -m pip install --upgrade cython pip requests && \ git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From 04847eb4f520f4f3289d71c70b7d8bcff0b17c4a Mon Sep 17 00:00:00 2001 From: Vadym Date: Fri, 9 Aug 2024 16:11:52 +0200 Subject: [PATCH 31/38] Sonarcloud --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index f1fd745fc..b6a2f7edc 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --upgrade cython pip requests && \ +RUN python -m pip install --no-cache-dir --upgrade cython pip requests && \ git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From 7ca5529572c76c7361256546246015a63d87236d Mon Sep 17 00:00:00 2001 From: Vadym Date: Mon, 12 Aug 2024 11:28:59 +0200 Subject: [PATCH 32/38] Specific dependencies --- .../containers/varcall_py3/varcall_py3.yaml | 210 ++++++++++++++++-- 1 file changed, 195 insertions(+), 15 deletions(-) diff --git a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml index 3f329e673..d7089f19b 100644 --- a/BALSAMIC/containers/varcall_py3/varcall_py3.yaml +++ b/BALSAMIC/containers/varcall_py3/varcall_py3.yaml @@ -1,21 +1,201 @@ channels: - - conda-forge - anaconda + - conda-forge - bioconda - defaults dependencies: - - anaconda::python=3.8 - - anaconda::click=8.0.4 - - bioconda::bcftools=1.15 - - bioconda::tabix=1.11 - - bioconda::samtools=1.15 - - bioconda::gatk=3.8 - - bioconda::vardict=2019.06.04 - - bioconda::vardict-java=1.8.3 - - bioconda::svdb=2.8.1 - - bioconda::vcfpy=0.13.4 - - bioconda::cyvcf2=0.30.16 - - bioconda::bwa=0.7.17 - - conda-forge::libiconv - - conda-forge::r-base=4.1.1 + - _libgcc_mutex=0.1 + - _openmp_mutex=4.5 + - _r-mutex=1.0.1 + - _sysroot_linux-64_curr_repodata_hack=3 + - bcftools=1.15.1 + - binutils_impl_linux-64=2.35.1 + - binutils_linux-64=2.35 + - boltons=24.0.0 + - brotlipy=0.7.0 + - bwa=0.7.17 + - bwidget=1.9.14 + - bzip2=1.0.8 + - c-ares=1.32.3 + - ca-certificates=2024.7.4 + - cairo=1.16.0 + - certifi=2024.7.4 + - cffi=1.14.6 + - chardet=4.0.0 + - click=8.0.4 + - coloredlogs=15.0.1 + - conda=23.7.1 + - conda-package-handling=2.3.0 + - conda-package-streaming=0.10.0 + - cryptography=39.0.0 + - curl=7.86.0 + - cyvcf2=0.30.16 + - expat=2.6.2 + - font-ttf-dejavu-sans-mono=2.37 + - font-ttf-inconsolata=3.000 + - font-ttf-source-code-pro=2.038 + - font-ttf-ubuntu=0.83 + - fontconfig=2.14.2 + - fonts-conda-ecosystem=1 + - fonts-conda-forge=1 + - freetype=2.12.1 + - fribidi=1.0.10 + - gatk=3.8 + - gcc_impl_linux-64=9.3.0 + - gcc_linux-64=9.3.0 + - gettext=0.22.5 + - gettext-tools=0.22.5 + - gfortran_impl_linux-64=9.3.0 + - gfortran_linux-64=9.3.0 + - graphite2=1.3.13 + - gsl=2.7 + - gxx_impl_linux-64=9.3.0 + - gxx_linux-64=9.3.0 + - harfbuzz=3.0.0 + - htslib=1.15.1 + - humanfriendly=10.0 + - icu=68.2 + - idna=2.10 + - jpeg=9e + - jsonpatch=1.33 + - jsonpointer=3.0.0 + - kernel-headers_linux-64=3.10.0 + - keyutils=1.6.1 + - krb5=1.19.3 + - ld_impl_linux-64=2.35.1 + - lerc=4.0.0 + - libasprintf=0.22.5 + - libasprintf-devel=0.22.5 + - libblas=3.9.0 + - libcblas=3.9.0 + - libcurl=7.86.0 + - libdeflate=1.13 + - libedit=3.1.20191231 + - libev=4.33 + - libexpat=2.6.2 + - libffi=3.3 + - libgcc-devel_linux-64=9.3.0 + - libgcc-ng=14.1.0 + - libgettextpo=0.22.5 + - libgettextpo-devel=0.22.5 + - libgfortran-ng=9.5.0 + - libgfortran5=9.5.0 + - libglib=2.68.4 + - libgomp=14.1.0 + - libiconv=1.17 + - liblapack=3.9.0 + - libnghttp2=1.51.0 + - libopenblas=0.3.18 + - libpng=1.6.43 + - libssh2=1.10.0 + - libstdcxx-devel_linux-64=9.3.0 + - libstdcxx-ng=14.1.0 + - libtiff=4.4.0 + - libuuid=2.38.1 + - libwebp-base=1.4.0 + - libxcb=1.16 + - libxml2=2.9.12 + - libzlib=1.2.13 + - make=4.3 + - ncurses=6.5 + - numpy=1.24.4 + - openjdk=8.0.412 + - openssl=1.1.1w + - packaging=24.1 + - pango=1.48.10 + - pcre=8.45 + - pcre2=10.37 + - perl=5.26.2 + - pip=24.2 + - pixman=0.43.2 + - pluggy=1.5.0 + - pthread-stubs=0.4 + - pycosat=0.6.6 + - pycparser=2.20 + - pyopenssl=20.0.1 + - pysam=0.19.1 + - pysocks=1.7.1 + - python=3.8.12 + - python_abi=3.8 + - r-base=4.1.1 + - r-bitops=1.0_7 + - r-catools=1.18.2 + - r-cli=3.6.1 + - r-colorspace=2.1_0 + - r-crayon=1.5.2 + - r-ellipsis=0.3.2 + - r-fansi=1.0.4 + - r-farver=2.1.1 + - r-ggplot2=3.4.2 + - r-glue=1.6.2 + - r-gplots=3.1.3 + - r-gsalib=2.2.1 + - r-gtable=0.3.3 + - r-gtools=3.9.4 + - r-isoband=0.2.7 + - r-kernsmooth=2.23_20 + - r-labeling=0.4.2 + - r-lattice=0.21_8 + - r-lifecycle=1.0.3 + - r-magrittr=2.0.3 + - r-mass=7.3_58.3 + - r-matrix=1.5_4.1 + - r-mgcv=1.8_42 + - r-munsell=0.5.0 + - r-nlme=3.1_155 + - r-pillar=1.9.0 + - r-pkgconfig=2.0.3 + - r-plyr=1.8.8 + - r-r6=2.5.1 + - r-rcolorbrewer=1.1_3 + - r-rcpp=1.0.10 + - r-reshape=0.8.9 + - r-rlang=1.1.1 + - r-scales=1.2.1 + - r-tibble=3.2.1 + - r-utf8=1.2.3 + - r-vctrs=0.6.2 + - r-viridislite=0.4.1 + - r-withr=2.5.0 + - readline=8.1 + - ruamel.yaml=0.17.40 + - ruamel.yaml.clib=0.2.8 + - samtools=1.15.1 + - sed=4.8 + - setuptools=72.1.0 + - six=1.16.0 + - sqlite=3.36.0 + - svdb=2.8.1 + - sysroot_linux-64=2.17 + - tabix=1.11 + - tk=8.6.13 + - tktable=2.10 + - toolz=0.12.1 + - tqdm=4.61.2 + - tzdata=2021a + - urllib3=1.26.6 + - vardict=2019.06.04 + - vardict-java=1.8.3 + - vcfpy=0.13.4 + - wheel=0.36.2 + - xorg-kbproto=1.0.7 + - xorg-libice=1.1.1 + - xorg-libsm=1.2.4 + - xorg-libx11=1.8.9 + - xorg-libxau=1.0.11 + - xorg-libxdmcp=1.1.3 + - xorg-libxext=1.3.4 + - xorg-libxrender=0.9.11 + - xorg-libxt=1.3.0 + - xorg-renderproto=0.11.1 + - xorg-xextproto=7.3.0 + - xorg-xproto=7.0.31 + - xz=5.2.5 + - yaml=0.2.5 + - zlib=1.2.13 + - zstandard=0.23.0 + - zstd=1.5.6 + - pip: + - charset-normalizer==3.3.2 + - requests==2.32.3 From ad799e8ebe27a6481c5d2d22fdb791f3111acf82 Mon Sep 17 00:00:00 2001 From: Vadym Date: Mon, 12 Aug 2024 11:47:24 +0200 Subject: [PATCH 33/38] joblib --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index b6a2f7edc..9993378a1 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -24,7 +24,7 @@ RUN sh ${CONTAINER_NAME}.sh ${CONTAINER_NAME} # Install TIDDIT WORKDIR /project -RUN python -m pip install --no-cache-dir --upgrade cython pip requests && \ +RUN python -m pip install --no-cache-dir --upgrade cython joblib pip requests && \ git clone --depth 1 --branch TIDDIT-3.8.0 https://github.com/SciLifeLab/TIDDIT.git && \ cd TIDDIT && \ pip install . From 223993ae61c11ba63c221f529613a06d77832a97 Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 13 Aug 2024 16:16:10 +0200 Subject: [PATCH 34/38] ok --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 9993378a1..6ea33b628 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -9,7 +9,7 @@ LABEL base.image="continuumio/miniconda3:4.10.3-alpine" \ ENV PATH="/opt/conda/bin/:${PATH}" # Install necessary packages -RUN apk add --no-cache bash gcc git musl-dev +RUN apk add --no-cache bash gcc git libssl-dev musl-dev ARG CONTAINER_NAME From a40b13bb18b7c3a9f1742e99cc2562e6a6fb60d3 Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 13 Aug 2024 16:30:07 +0200 Subject: [PATCH 35/38] typo --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 6ea33b628..6361c5e43 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -9,7 +9,7 @@ LABEL base.image="continuumio/miniconda3:4.10.3-alpine" \ ENV PATH="/opt/conda/bin/:${PATH}" # Install necessary packages -RUN apk add --no-cache bash gcc git libssl-dev musl-dev +RUN apk add --no-cache bash gcc git libressl-dev musl-dev ARG CONTAINER_NAME From 8b9cfbe832e15fa5b7b0d1bec21c41ee9c94994f Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 13 Aug 2024 17:04:29 +0200 Subject: [PATCH 36/38] remove dev --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 6361c5e43..4aeb4572e 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -9,7 +9,7 @@ LABEL base.image="continuumio/miniconda3:4.10.3-alpine" \ ENV PATH="/opt/conda/bin/:${PATH}" # Install necessary packages -RUN apk add --no-cache bash gcc git libressl-dev musl-dev +RUN apk add --no-cache bash gcc git libressl musl-dev ARG CONTAINER_NAME From b7941f89104a0ca31bc3304bc1c3c62cc8919482 Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 13 Aug 2024 17:12:34 +0200 Subject: [PATCH 37/38] remove libssl --- BALSAMIC/containers/varcall_py3/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 4aeb4572e..9993378a1 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -9,7 +9,7 @@ LABEL base.image="continuumio/miniconda3:4.10.3-alpine" \ ENV PATH="/opt/conda/bin/:${PATH}" # Install necessary packages -RUN apk add --no-cache bash gcc git libressl musl-dev +RUN apk add --no-cache bash gcc git musl-dev ARG CONTAINER_NAME From c68d17743b045ac64eed58e7b11d57f0fa2b5b7b Mon Sep 17 00:00:00 2001 From: Vadym Date: Tue, 13 Aug 2024 17:22:13 +0200 Subject: [PATCH 38/38] install bwa fermi --- BALSAMIC/containers/varcall_py3/Dockerfile | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/BALSAMIC/containers/varcall_py3/Dockerfile b/BALSAMIC/containers/varcall_py3/Dockerfile index 9993378a1..b1d0cda53 100644 --- a/BALSAMIC/containers/varcall_py3/Dockerfile +++ b/BALSAMIC/containers/varcall_py3/Dockerfile @@ -29,6 +29,18 @@ RUN python -m pip install --no-cache-dir --upgrade cython joblib pip requests && cd TIDDIT && \ pip install . +# Install fermi2 +WORKDIR /project +RUN git clone https://github.com/lh3/fermi2.git && \ + cd fermi2 && \ + make + +# Install bwa (includes ropebwt2) +WORKDIR /project +RUN git clone https://github.com/lh3/bwa.git && \ + cd bwa && \ + make + # Clean up work environment WORKDIR / RUN rm -rf /project && conda clean --all --yes