A. Setup of modules
- Location at CSD3: /usr/local/Cluster-Apps/ceuadmin
- Module files: /usr/local/Cluster-Config/modulefiles/ceuadmin
Recent modules
All entries are ordered chronologically.
Date | Add ons | Category |
---|---|---|
2022-10-21 | pspp/1.6.0 | Generic |
2022-10-22 | snptest/2.5.6 | Genetics |
"" | qctool/2.0.8 | Genetics |
"" | gcta/1.94.1 | Genetics |
"" | KING/2.1.6 | Genetics |
"" | LDstore/2.0 | Genetics |
"" | shapeit/3 | Genetics |
"" | vcftools/0.1.16 | Genetics |
"" | finemap/1.4 | Genetics |
2022-10-23 | quicktest/1.1 | Genetics |
"" | samtools/1.11 | Genetics |
"" | bcftools/1.12 | Genetics |
"" | MORGAN/3.4 | Genetics |
"" | METAL/2020-05-05r | Genetics1 |
"" | regenie/3.2.1 | Genetics |
"" | GEMMA/0.98.5 | Genetics2 |
"" | htslib/1.12 | Genetics |
"" | fcGENE/1.0.7 | Genetics3 |
"" | SMR/1.0.3 | Genetics |
"" | FastQTL/2.165 | Genetics |
"" | GitKraken/8.1.0 | Generic |
2022-10-24 | Typora/0.11.8beta | Generic |
"" | pandoc/2.19.2 | Generic |
"" | citeproc/0.4.0.1 | Generic |
"" | citeproc/0.8.0.2 | Generic |
2022-10-26 | circos/0.69-9 | Genetics |
"" | DjVuLibre/3.5.27.1-14 | Generic |
"" | ghostscript/9.56.1 | Generic |
"" | bgen/1.1.7 | Genetics |
2022-10-27 | sqlite/3.39.4 | Generic |
2022-10-28 | poppler/0.84.0 | Generic |
"" | jq/1.6 | Generic4 |
"" | DosageConverter/1.0.0 | Genetics |
"" | tidy/5.8.0 | Generic |
2022-10-29 | ghc/8.6.5 | Generic |
"" | pandoc-citeproc/0.17.0.2 | Generic |
2022-10-31 | git/2.38.1 | Generic |
"" | aria2/1.36.0 | Generic |
2022-11-01 | alpine/2.26 | Generic |
"" | readline/8.0 | Generic |
"" | Cytoscape/3.9.1 | Generic |
"" | nano/6.0 | Generic |
"" | R/4.2.2 | Generic |
"" | parallel/20220222 | Generic |
"" | pdf2djvu/0.9.19 | Generic |
2022-11-02 | lapack/3.10.1 | Generic |
"" | GraphicsMagick/1.3.38 | Generic |
"" | QTLtools/1.3.1-25 | Genetics5 |
"" | NLopt/2.7.1 | Generic |
"" | blat/37x1 | Genetics |
"" | bedtools2/2.29.2 | Genetics |
"" | bedops/2.4.41 | Genetics |
2022-11-03 | Beagle/3.0.4 | Genetics |
"" | netbeans/15 | Generic |
"" | JAGS/4.3.1 | Generic |
"" | exiv2/0.27.5 | Generic6 |
"" | googletest/1.8.0 | Generic |
"" | googletest/1.12.1 | Generic |
"" | libiconv/1.17 | Generic |
"" | ldc2/1.24.0 | Generic |
"" | gettext/0.21 | Generic |
"" | ssw/0.7 | Generic |
"" | fribidi/1.0.8 | Generic |
"" | proj/6.3.0 | Generic |
"" | gmp/6.2.1 | Generic |
"" | pcre2/10.30 | Generic |
"" | zstd/1.5.2 | Generic |
2022-11-04 | libxslt/1.1.34 | Generic7 |
"" | libssh2/1.10.0 | Generic |
"" | libxml2/2.9.10 | Generic8 |
"" | libsodium/1.10.0 | Generic |
"" | gdal/3.0.4 | Generic9 |
"" | expat/2.4.7 | Generic10 |
"" | docbook2X/0.8.8 | Generic |
"" | libntlm/1.6 | Generic |
"" | vala/0.46.5 | Generic |
"" | gtksourceview/4.0.3 | Generic |
"" | oniguruma/6.9.8 | Generic |
"" | nspr/4.35 | Generic |
"" | nettle/2.7.1 | Generic |
2022-11-05 | trinculo/0.96 | Generic |
"" | ruby/2.7.5 | Generic11 |
2022-11-06 | libpng/0.5.30 | Generic |
"" | libgit2/1.1.0 | Generic12 |
"" | git-extras/6.5.0 | Generic |
"" | trousers/0.3.14 | Generic |
"" | libidn2/2.3.4 | Generic |
"" | unbound/1.17.0 | Generic |
"" | nettle/3.6.0 | Generic13 |
"" | gnutls/3.7.8 | Generic14 |
2022-11-08 | CrossMap/0.6.4 | Genetics |
"" | SurvivalKit/6.12 | Genetics |
"" | PRSice/2.3.3 | Genetics |
2022-11-09 | qctool/2.2.0 | Genetics |
"" | fossil/2.19 | Generic |
2022-11-10 | rclone/1.53.1 | Generic |
"" | CaVEMaN/1.01-c1815a0 | Genetics |
"" | akt/0.3.3 | Genetics |
"" | MsCAVIAR/0.6.4 | Genetics |
"" | CAVIAR/2.2 | Genetics |
"" | MONSTER/1.3 | Genetics |
"" | osca/0.46 | Genetics |
"" | LEMMA/1.0.4 | Genetics15 |
"" | CAVIARBF/0.2.1 | Genetics |
2022-11-11 | PAINTOR/3.0 | Genetics |
"" | ABCtoolbox/2.0 | Generic |
"" | cppunit/1.15.2 | Generic |
2022-11-12 | ccal/2.5.3 | Generic |
2022-11-13 | axel/2.17.11 | Generic16 |
"" | axel/1.0a | Generic |
"" | bazel/2.0.0 | Generic |
"" | bazel/1.2.1 | Generic |
2022-11-14 | MR-MEGA/0.2 | Genetics |
2022-11-16 | SNP2HLA/1.0.3 | Genetics |
"" | STAR/2.7.10b | Genetics |
"" | Mega2/6.0.0 | Genetics |
2022-11-18 | ffmpeg/5.1.1 | Generic |
2022-11-19 | ensembl-vep/104 | Genetics* |
"" | OpenMS/3.0.0-pre-develop | Genetics*17 |
"" | polyphen/2.2.2 | Genetics* |
"" | ANNOVAR/24Oct2019 | Genetics* |
"" | MAGENTA/vs2_July2011 | Genetics* |
"" | GARFIELD/v2 | Genetics* |
"" | KentUtils/2022-11-14 | Genetics* |
2022-11-20 | Genotype-Harmonizer/1.4.25 | Genetics |
2022-11-21 | locuszoom/1.4 | Genetics*18 |
"" | DEPICT/v1_rel194 | Genetics* |
"" | MAGMA/1.10 | Genetics* |
"" | Pascal/v_debut | Genetics* |
"" | VEGAS2/2.01.17 | Genetics* |
"" | fgwas/0.3.6 | Genetics* |
2022-11-24 | qtcreator/2.5.2 | Generic |
"" | rstudio/2022.07.2+576 | Generic |
2022-11-26 | yaml-cpp/0.7.0 | Generic |
"" | libglvnd/1.6.0 | Generic |
"" | GreenAlgorithmsforHPC/0.2.2-beta | Generic |
2022-11-28 | openssl/1.1.1s | Generic |
2022-11-29 | qt/5.15.7 | Generic* |
2022-12-02 | rstudio/1.3.1093 | Generic19 |
2022-12-04 | phenoscanner/v2 | Genetics* |
2022-12-07 | SurvivalAnalysis/2016-05-09 | Genetics |
2022-12-14 | node/16.14.0 | Generic |
2022-12-19 | rstudio/2022.12.0+353 | Generic |
"" | icu/50.2 | Generic |
2022-12-20 | snakemake/7.19.1 | Generic |
2022-12-21 | icu/70.1 | Generic |
"" | libuv/1.43.0 | Generic |
"" | libcares/1.18.1 | Generic |
"" | brotli/1.0.9 | Generic |
2022-12-28 | ncurses/6.3 | Generic |
2023-01-03 | Eagle/2.4.1 | Genetics |
2023-01-05 | GEM/1.4.5 | Genetics |
2023-02-01 | GENEHUNTER/2.1_r6 | Genetics |
2023-02-26 | JabRef/5.9 | Generic |
2023-02-27 | Zotero/6.0.22 | Generic |
2023-03-14 | regenie/3.2.5 | Genetics |
2023-03-22 | rstudio/2023.03.0+386 | Generic |
2023-03-24 | PoGo/1.0.0 | Genetics |
2023-03-31 | PWCoCo/2023-03-31 | Genetics20 |
2023-04-02 | regenie/3.2.5.3 | Genetics |
2023-04-04 | PWCoCo/1.0 | Genetics |
2023-04-05 | PhySO/1.0-dev0 | Generic |
2023-04-21 | ImageJ/1.53t | Generic |
2023-04-25 | busybox/1.35.0 | Generic |
2023-06-02 | regenie/3.2.7 | Genetics21 |
2023-06-05 | gsl/2.7.1 | Generic |
2023-06-06 | allegre/2.0f | Genetics |
2023-06-14 | autoconf/2.72c.24-8e728 | Generic22 |
2023-06-16 | globusconnectpersonal/3.2.2 | Generic |
2023-06-19 | plink-ng/2.00a3.3 | Genetics |
2023-06-26 | RHHsoftware/0.1 | Genetics |
2023-07-19 | pdfjam/3.06 | Generic |
2023-07-22 | rstudio/2023.06.1+524 | Generic |
2023-07-28 | PWCoCo/1.1 | Genetics |
2023-08-02 | regenie/3.2.9 | Genetics |
"" | fossil/2.22 | Generic |
2023-08-04 | quarto/1.3.450-icelake | Generic23 |
2023-08-06 | finemap/1.4.2 | Genetics |
2023-08-10 | GreenAlgorithmsforHPC/0.3 | Generic |
2023-08-12 | xpdf/4.04 | Generic24 |
2023-08-22 | thunderbird/115.1.1 | Generic |
2023-08-24 | pdfjam/3.07 | Generic |
2023-09-03 | 2.0.0-pre1ge32bec | Genetic25 |
"" | spead-sheet-widget | Generic |
2023-09-27 | ncbi-vdb/3.0.8 | Genetics26 |
"" | sra-tools/3.0.8 | Genetics27 |
"" | gatk/4.4.0.0 | Genetics28 |
2023-09-28 | openjdk/8u382-b05 | Generic |
"" | openjdk/11.0.20+8 | Generic |
"" | openjdk/17.0.8+7 | Generic |
2023-10-24 | rst2pdf/0.101 | Generic |
"" | geany/1.38 | Generic |
"" | pango/1.41.1 | Generic |
"" | gettext/0.20 | Generic |
2023-10-26 | glib/2.58.3 | Generic |
2023-10-27 | graphene/1.4.0 | Generic |
"" | graphene/1.8.0 | Generic |
2023-10-24 | gtk+/3.24.0 | Generic |
"" | geany/2.0 | Generic |
2023-10-28 | hunspell/1.7.0 | Generic |
"" | hunspell/1.7.2 | Generic |
"" | enchant/2.2.0 | Generic |
2023-10-29 | gtk+/3.90.0 | Generic |
2023-10-31 | vte/0.55.0 | Generic |
2023-11-05 | Anaconda3/2023.09-0 | Generic |
2023-11-23 | SciKit-LLM & OpenAI API | Genetic |
2023-11-24 | ldsc/1.0.1 | Genetics |
2023-11-30 | gdc/1.6.1-1.0.0 | Genetics29 |
2023-12-13 | rust/1.74.1 | Generic |
2023-12-20 | verifyBamID/1.1.3 | Genetics |
2023-12-21 | verifyBamID/2.0.1 | Genetics30 |
2023-12-27 | regtools/1.0.0 | Genetics31 |
"" | VarScan/2.4.6 | Genetics32 |
2024-01-02 | Mango/0.1.0 | Generic |
2024-01-08 | picard/3.1.1 | Genetics |
"" | plink/2.0_20240105 | Genetics |
2024-01-10 | cmake/3.28.1 | Generic |
"" | tatami/2.1.2 | Generic33 |
2024-01-19 | htslib/1.19 | Genetics |
2024-01-23 | nextflow/23.10.1 | Generic34 |
"" | go/1.21.6 | Generic |
"" | singularity/4.0.3 | Generic35 |
"" | libseccomp/2.5.5 | Generic |
2024-01-24 | fraposa_pgsc/0.1.0 | Genetics36 |
"" | pgsc_calc/2.0.0-alpha.4 | Genetics37 |
2024-01-27 | glibc/2.18 | Generic |
"" | glibc/2.26 | Generic |
"" | deno/1.40.2 | Generic38 |
"" | deno/1.40.2-icelake | Generic |
"" | quarto/1.4.549 | Generic |
2024-02-29 | R/4.3.3 | Generic39 |
2024-03-01 | glpk/5.0 | Generic |
2024-03-02 | glpk/4.57 | Generic |
2024-03-04 | rstudio/2023.12.1-402 | Generic |
2024-03-05 | GitKraken/9.12.0 | Generic40 |
"" | automake/1.16.5 | Generic41 |
"" | pspp/2.0.0 | Generic |
2024-03-09 | Scala/3.3.3 | Generic |
2024-03-10 | fpc/3.2.2 | Generic |
"" | Swift/5.10 | Generic |
"" | pulsar/1.114.0 | Generic |
"" | VSCodium/1.87.1.24068 | Generic |
2024-03-27 | openssl/3.2.1-icelake | Generic42 |
"" | openssh/9.7p1-icelake | Generic43 |
2024-03-31 | ensembl-vep/111-icelake | Genetics44 |
2024-04-01 | json-c/0.17-20230812-icelake | Generic45 |
"" | device-mapper/1.02.28-icelake | Generic |
"" | LVM2/2.03.23-icelake | Generic46 |
2024-04-02 | cryptsetup/2.7.1-icelake | Generic47 |
2024-04-05 | krb5/1.21.2-icelake | Generic48 |
"" | git/1.44.0-icelake | Generic49 |
"" | openssl/1.1.1b-icelake | Generic |
"" | libssh2/1.11.0-icelake | Generic |
"" | libssh/0.10.6-icelake | Generic |
2024-04-22 | peer/1.3 | Generic50 |
2024-04-29 | ImageMagick/7.1.1-31 | Generic51 |
2024-05-15 | rtmpdump/2.3 | Generic52 |
2024-05-22 | spyder/5.5.4 | Generic53 |
2024-06-04 | pwiz/3_0_24156_80747de | Proteomics |
2024-06-09 | crux/4.2 | Proteomics54 |
"" | p7zip-zstd/17.05 | Generic55 |
"" | DIA-NN/1.8.1 | Proteomics |
2024-06-10 | patchelf/0.18.0 | Generic |
"" | boost/1.76.0 | Generic56 |
"" | wine/8.21 | Generic57 |
2024-06-11 | crux/4.1 | Proteomics |
"" | pwiz/3_0_24163_9bfa69a-wine | Proteomics |
2024-06-13 | seqkit/2.8.2 | Proteomics58 |
"" | dotnet/8.0.304 | Generic |
"" | dotnet/6.0.423 | Generic59 |
"" | FlashLFQ/1.2.6 | Proteomics60 |
"" | MetaMorpheus/1.0.5 | Proteomics |
2024-06-14 | R/4.4.1 | Generic |
2024-06-25 | msms/3.2rc-b163 | Genetics |
2024-06-30 | freesurfer/7.4.1 | Generic |
2024-07-04 | docker/24.0.5 | Generic61 |
"" | docker/27.0.3 | Generic |
2024-07-05 | sshpass/1.10 | Generic |
"" | podman/5.1.1 | Generic62 |
2024-07-09 | ntlm/1.6 | Generic |
"" | alpine/2.26-icelake | Generic63 |
"" | gnutls/3.8.4-icelake | Generic |
"" | quarto/1.6.1-icelake | Generic |
"" | gettext/0.22.5-icelake | Generic |
"" | nettle/3.9-icelake | Generic |
2024-07-11 | qemu/9.0.1 | Generic64 |
2024-07-13 | msamanda/3.0.21.532 | Proteomics |
2024-07-16 | augeas/1.14.1 | Generic |
"" | hivex/1.3.23 | Generic65 |
"" | ocaml/4.14.2 | Generic |
"" | findlib/1.9.6 | Generic66 |
"" | opam/2.2.0 | Generic67 |
"" | libguestfs/1.48.6 | Generic68 |
2024-07-23 | Miniconda3/22.9.0 | Generic |
2024-07-25 | pigz/2.8 | Generic |
2024-07-31 | tandem/2017.2.1.4 | Proteomics |
2024-08-11 | comet/2024.01.1 | Proteomics |
"" | kojak/2.1.0 | Proteomics |
"" | kojak/1.5.5 | Proteomics |
"" | kojak/2.0.0a22 | Proteomics |
2024-08-12 | MS-GF+/2024.03.26 | Proteomics69 |
2024-08-14 | ThermoRawFileParser/1.4.4 | Proteomics |
"" | ThermoRawFileParserGUI/1.7.4 | Proteomics |
"" | FragPipe/22.0 | Proteomics70 |
2024-08-15 | MSFragger/4.1 | Proteomics |
"" | IonQuant/1.10.27 | Proteomics |
2024-08-20 | htslib/1.20 | Genetics |
"" | bcftools/1.20 | Genetics |
"" | samtools/1.20 | Genetics |
2024-08-23 | qpdf/11.9.1 | Generic |
2024-08-23 | qpdf/11.9.1 | Generic |
2024-09-01 | MaxQuant/2.6.4.0 | Proteomics |
"" | Perseus/2.1.2.0 | Proteomics |
2024-09-03 | tiff/4.0.4 | Generic |
"" | tiff/4.6.0 | Generic |
2024-09-05 | libgit2/1.4.2 | Generic |
2024-09-10 | jasper/3.0.4 | Generic |
2024-09-13 | geos/3.8.4 | Generic |
"" | prof/7.2.1 | Generic |
2024-09-14 | libarchive/3.7.5 | Generic |
"" | openssl/3.2.1 | Generic |
"" | curl/7.85.0 | Generic71 |
2024-09-15 | libjpeg-turbo/3.0.4 | Genetic72 |
"" | libgeotiff/1.7.3 | Generic73 |
"" | gdal/3.7.0 | Generic74 |
2024-10-04 | libsodium/1.0.20 | Genetic |
"" | SYMPHONY/3.6.17 | Generic |
2024-10-13 | sage/0.14.7 | Proteomics |
2024-10-23 | caddy/2.7.5 | Genetic |
"" | caddy/2.8.4 | Generic |
"" | nginx/1.24.0 | Generic |
"" | wrk/4.2.0 | Generic |
2024-10-25 | firefox/131.0.3 | Genetic |
"" | chromium/132.0.6798.0 | Generic |
2024-10-29 | inetutils/2.5 | Genetic75 |
2024-10-31 | R/4.4.2 | Generic |
2024-11-01 | edge/130.0.2849.56-1 | Generic |
2024-11-22 | pspp/2.0.1 | Generic |
2024-11-26 | pgsc_calc/2.0.0 | Generic |
2024-12-03 | firefox/133.0 | Genetic |
2024-12-07 | firefox/nightly | Genetic76 |
2024-12-10 | rstudio/2024.09.1+394 | Genetic |
* CEU or approved users only.
Three aspects are notable,
- A file named NOTE indicates the original annotation.
- A symbolic link is generated when appropriate to simplify executable file name.
- The available source package is kept in the sources/ directory.
Word cloud diagrams
They are generated from script setup.sh,
Footnotes
-
metal
Notes on METAL 2020-05-05r
This version has options EFFECT_PRINT_PRECISION and STDERR_PRINT_PRECISION (both with default 4) to enable many decimal places.
The letter
r
as in2020-05-05r
indicates a replacement of functions inlibsrc/MathStats.cpp
to ensure generality – details have also been posted to the GitHub page, https://github.com/statgen/METAL/issues/24.FATAL ERROR - a too large, ITMAX too small in gamma countinued fraction (gcf) so the -1.info file could not be generated.
-
gemma
Note on compiling from source
A considerably smaller (1,097,256 vs 22,721,624) executable, /usr/local/Cluster-Apps/ceuadmin/GEMMA/0.98.5/bin, is generated under CSD3 but the original distribution is used by default.
module load openblas/0.2.15 make
-
fcgene
Alternative site
-
jq
The executable points to the one available from the website.
The bin/, include/, lib/, share/ directories are obtained from source with oniguruma also compiled independently. ↩
-
qtltools
The long version number is 1.3.1-25-g6e49f85f20. ↩
-
exiv2
This is compiled with configuration
cmake -DCMAKE_INSTALL_PREFIX=$CEUADMIN/exiv/0.27.5 -DEXIV2_ENABLE_NLS=On -DEXIV2_ENABLE_BMFF=On -DEXIV2_BUILD_UNIT_TESTS=Off -DCMAKE_PREFIX_PATH=$HPC_WORK ..
The modules ceuadmin/gettext/0.21, ceuadmin/libiconv/1.17, ceuadmin/googletest/1.8.0 are at disposal. ↩
-
libxslt
There is complaint about docbook as in expat, however there is no apparent option to control for this. ↩
-
libxml2
The packaging is not perfect and Python 2 package requires to be manually furnished,
export PYTHONPATH=/usr/local/Cluster-Apps/ceuadmin/libxml2/2.9.10/lib/python2.7/site-packages ./configure --prefix=$CEUADMIN/libxml2/2.9.10 cd libxml2-2.9.10/python python setup.py install --prefix=${PYTHONPATH}
The module file is expicitly appended with
module load python/2.7 export PYTHONPATH=$root/lib/python2.7/site-packages:$PYTHONPATH
-
gdal
This involves many libraries; an expeeriment has been done as follows,
module load gcc/6 module load cfitsio-3.450-gcc-5.4.0-colpo6h module load geos-3.6.2-gcc-5.4.0-vejexvy module load jpeg-9b-gcc-5.4.0-7s6bvoe module load libgeotiff-1.4.2-gcc-5.4.0-2emzhxh module load libpng-1.6.29-gcc-5.4.0-3qwhidp module load mpich-3.2-gcc-5.4.0-idlluti module load netcdf/4.4.1 module load postgresql-9.5.3-gcc-5.4.0-fxmot7h module load zlib/1.2.11 module load zstd-1.3.0-intel-17.0.4-eyn6gaw ./configure --with-libjson-c=$HPC_WORK --with-proj=$HPC_WORK --without-sqlite3 --prefix=$HPC_WORK \ --with-cfitsio=/usr/local/software/spack/current/opt/spack/linux-rhel7-x86_64/gcc-5.4.0/cfitsio-3.450-colpo6hwycaaind2al47yriydf4oysyx \ --with-cpp14 # module load json-c-0.13.1-gcc-5.4.0-ffamohj # module load proj-6.2.0-gcc-5.4.0-iw4jbzs # --with-proj=/usr/local/software/spack/spack-git/opt/spack/linux-rhel7-broadwell/gcc-5.4.0/proj-6.2.0-iw4jbzsrjirypecjm4c7bmlhdvhgwjmx \
-
expat
Due to error messages, the options are specified as follows,
./configure --prefix=$CEUADMIN/expat/2.4.7 --without-docbook
-
ruby
This is done as follows,
curl -sSL https://cache.ruby-lang.org/pub/ruby/2.7/ruby-2.7.5.tar.gz -o ruby-2.7.5.tar.gz tar -xzf ruby-2.7.5.tar.gz cd ruby-2.7.5 ./configure --prefix=$CEUADMIN/ruby/2.7.5 make make install rvm reset
-
libgit2
It uses Python 2.7 and libssh2 (as above). The following warnings are given
/usr/bin/ld: warning: libssl.so.10, needed by /home/jhz22/hpc-work/lib/libssh2.so, may conflict with libssl.so.1.1 /usr/bin/ld: warning: libcrypto.so.10, needed by /home/jhz22/hpc-work/lib/libssh2.so, may conflict with libcrypto.so.1.1
-
nettle
This is required by gnutls/3.7.8, which requires
ceuadmin/gmp/6.2.1
and--enable-mini-gmp
.Alternatively, we use
./configure --prefix=$HPC_WORK LDFLAGS=-L$HPC_WORK/lib64 LIBS=-lhogweed --disable-openssl \ --with-lib-path=/usr/local/Cluster-Apps/ceuadmin/gmp/6.2.1/lib \ --with-include-path=/usr/local/Cluster-Apps/ceuadmin/gmp/6.2.1/include
-
gnutls
It requires libunistring (optionally –with-included-unistring), libidn2, libunbound, and trousers, all prepared above.
./configure --prefix=$HPC_WORK --with-included-unistring --with-nettle-mini --enable-ssl3-support \ CFLAGS=-I$HPC_WORK/include LDFLAGS=-L$HPC_WORK/lib LIBS=-lhogweed LIBS=-lunbound LIBS=-ltspi \ --enable-sha1-support --disable-guile
It is necessary to edit
lib/pkcs11_privkey.c
to makeck_rsa_pkcs_pss_params
definition explicit. Then there is error with guile so we use –disable-guile.Under icelake (CentOS 8), this configuration is used for
gnutls/3.8.4-icelake
,module load gettext/0.21/gcc/qnrcglqo configure --prefix=$CEUADMIN/gnutls/3.8.4-icelake --with-included-unistring make make install
-
lemma
The documentation indicates a requirement of gcc/9.4, boost/1.78, OpenMP/3.1 and/or Intel MKL Library 2019 Update 1 but it is possible to proceed with gcc/11, cmake-3.19.7-gcc-5.4-5gbsejo, boost-1.66.0-gcc-5.4.0-slpq3un, ceuadmin/bgen. ↩
-
The following scripts avoid option
--without-ssl
.wget -qO- https://github.com/axel-download-accelerator/axel/releases/download/v2.17.11/axel-2.17.11.tar.gz | \ tar xvfz - cd axel-2.17.11 ./configure --prefix=$CEUADMIN/axel/2.17.11 LDFLAGS=-L/usr/lib64 LIBS=-lssl
-
OpenMS
When the OpenMS module is loaded, pyopenms and alphapept also become available. ↩
-
locuszoom
The version adds chromosome X data and will have options using INTERVAL data. ↩
-
rstudio
This is replacement of the module by HPC (no longer working) with the RStudio itself unchanged.
To save space, 2023.06.1+524 is removed upon installation of 2023.12.1+402. ↩
-
pwcoco
It compiles under gcc/9. Upon release of 1.1, this snapshot is removed. ↩
-
regenie
cd ~/rds/public_databases/software/ wget -qO- https://github.com/rgcgithub/regenie/archive/refs/tags/v3.2.7.tar.gz | \ tar xvfz - cd regenie-3.2.7/ export BGEN_PATH=~/rds/public_databases/software/bgen module load zlib/1.2.11 export ZLIB_LIBRARY=/usr/local/Cluster-Apps/zlib/1.2.11 module load gcc/6 module load cmake-3.19.7-gcc-5.4-5gbsejo module load intel/mkl/mic/2018.4 mkdir build cd build cmake .. make
-
autoconf
git clone git://git.sv.gnu.org/autoconf cd autoconf/ ./bootstrap module load help2man-1.47.4-gcc-4.8.5-phopsy7 ./configure --prefix=/home/jhz22/rds/public_databases/software moke make install
-
quarto
It requires CentOS 8 (icelake, or login-q-*); otherwise it fails with message:
GLIBC_2.18
not found.Upon installation, we supplement
jupyter
(python3 -m pip install jupyter –target=${PWD}/python; set PYTHONPATH in the module) andknitr
(R_LIBS is set in the module). Furthermore, to allow for generality, python and R directories are symbollically linked.To enable
rmarkdown
, we need to get around issue of no Internet on icelake with the following,packages <- c("base64enc","bslib","cachem","cli","digest", "ellipsis","evaluate","fastmap","fontawesome","fs", "glue","htmltools","jquerylib","jsonlite","knitr", "lifecycle","memoise","mime","R6","rappdirs", "rlang","rmarkdown","sass","stringi","stringr", "tinytex","vctrs","xfun","yaml") download.packages(packages,".") install.packages(dir(pattern="tar.gz"),lib="R",repos=NULL)
somewhat repetitive nonetheless successful since some are package dependencies.
$ quarto check
[✓] Checking versions of quarto binary dependencies... Pandoc version 3.1.1: OK Dart Sass version 1.55.0: OK [✓] Checking versions of quarto dependencies......OK [✓] Checking Quarto installation......OK Version: 1.3.450 Path: /usr/local/Cluster-Apps/ceuadmin/quarto/1.3.450-icelake/bin [✓] Checking basic markdown render....OK [✓] Checking Python 3 installation....OK Version: 3.8.11 Path: /usr/local/software/spack/spack-views/rhel8-icelake-20211027_2/python-3.8.11/gcc-11.2.0/pqdmnzmwkrtp4e3gjibmcxho7g6ekpat/bin/python3 Jupyter: 5.3.1 Kernels: python3 [✓] Checking Jupyter engine render....OK [✓] Checking R installation...........OK Version: 4.3.1 Path: /usr/local/Cluster-Apps/R/4.3.1-icelake/lib64/R LibPaths: - /usr/local/Cluster-Apps/ceuadmin/quarto/R - /usr/local/Cluster-Apps/R/4.3.1-icelake/lib64/R/library - /rds/project/jmmh2/rds-jmmh2-public_databases/software/R - /rds/project/jmmh2/rds-jmmh2-public_databases/software/R-4.3.1/library knitr: 1.43 rmarkdown: 2.23 [✓] Checking Knitr engine render......OK
-
xpdf
To enable display fonts as in login-e-[1-4] in /etc/xpdfrc or ~/.xpdfrc
# SJR addition fontFile Times-Roman /usr/share/fonts/urw-base35/NimbusRoman-Regular.t1 fontFile Times-Italic /usr/share/fonts/urw-base35/NimbusRoman-Italic.t1 fontFile Times-Bold /usr/share/fonts/urw-base35/NimbusRoman-Bold.t1 fontFile Times-BoldItalic /usr/share/fonts/urw-base35/NimbusRoman-BoldItalic.t1 fontFile Helvetica /usr/share/fonts/urw-base35/NimbusSans-Regular.t1 fontFile Helvetica-Oblique /usr/share/fonts/urw-base35/NimbusSans-Italic.t1 fontFile Helvetica-Bold /usr/share/fonts/urw-base35/NimbusSans-Bold.t1 fontFile Helvetica-BoldOblique /usr/share/fonts/urw-base35/NimbusSans-BoldItalic.t1 fontFile Courier /usr/share/fonts/urw-base35/NimbusMonoPS-Regular.t1 fontFile Courier-Oblique /usr/share/fonts/urw-base35/NimbusMonoPS-Italic.t1 fontFile Courier-Bold /usr/share/fonts/urw-base35/NimbusMonoPS-Bold.t1 fontFile Courier-BoldOblique /usr/share/fonts/urw-base35/NimbusMonoPS-BoldItalic.t1 fontFile Symbol /usr/share/fonts/urw-base35/StandardSymbolsPS.t1 fontFile ZapfDingbats /usr/share/fonts/urw-base35/D050000L.t1
-
pspp
Makeinfo
The following replacement is used.
MAKEINFO = ${SHELL} '/rds/project/jmmh2/rds-jmmh2-public_databases/software/pspp-2.0.0-pre1ge32bec/build-aux/missing' makeinfo --force --no-validate
while the rest is copied from GNU build, https://benpfaff.org/~blp/pspp-master/20230624103130/x86_64/pspp-2.0.0-pre1ge32bec-x86_64-build20230624103419.tar.gz. ↩
-
ncbi-vdb
The installation is preceeded with
module load gcc/6 flex-2.6.4-gcc-5.4.0-2u2fgon
. Althoughconfigure
is provided,cmake
is used instead.cmake -DCMAKE_PREFIX_PATH=$CEUADMIN/ncbi-vdb/3.0.8 -DCMAKE_INSTALL_PREFIX=$CEUADMIN/ncbi-vdb/3.0.8 ..
-
sra-tools
First, create a symbolic link for
ncbi-vdb/3.0.8
in the parent directory.cmake -DVDB_LIBDIR=$CEUADMIN/ncbi-vdb/3.0.8/lib64 -DCMAKE_INSTALL_PREFIX=$CEUADMIN/sra-tools/3.0.8 ..
Drop
constexpr
as inconstexpr size_type max_size() const { return SIZE_MAX; }
in line 161 of the following header file:/usr/local/Cluster-Apps/ceuadmin/sra-tools/3.0.8/tools/external/driver-tool/util.hpp
. ↩ -
gatk
The Python dependencies are set up as follows,
module load anaconda/3.2019-10 conda env create -p /usr/local/Cluster-Apps/ceuadmin/gatk/4.4.0.0/anaconda-3.2019-10 -f gatkcondaenv.yml conda activate /usr/local/Cluster-Apps/ceuadmin/gatk/4.4.0.0/anaconda-3.2019-10
Workflow downloads: https://github.com/gatk-workflows ↩
-
gdc
It also includes gdc_dtt-ui 1.0.0 ↩
-
VB2
To build from source, module
htslib-1.9-gcc-5.4.0-p2taavl
is needed yet with message/usr/bin/ld: warning: libbz2.so.1.0, needed by /usr/local/software/spack/spack-0.11.2/opt/spack/linux-rhel7-x86_64/gcc-5.4.0/htslib-1.9-p2taavlu3ieppo25otjfgvfu5tysbgho/lib/libhts.so, may conflict with libbz2.so.1
. In fact, 1 == 1.0 so it is ignored. ↩ -
regtools
gcc/6 is required for C++11. ↩
-
varscan
Simply call
java -jar $VARSCAN_HOME/VarScan.v2.4.6.jar
aftermodule load ceuadmin/VarScan/2.4.6
. ↩ -
tatami
The following aspects are required.
- module load gcc/9
- mkdir build && cd build
- cmake .. -DCMAKE_INSTALL_PREFIX=$CEUADMIN/tatami/2.1.2
- cmake –build . –target install
-
nextflow
curl -fsSL get.nextflow.io | bash
-
singularity
mconfig --prefix=$CEUADMIN/singularity/4.0.3 --without-seccomp --without-conmon --without-suid cd builddir & make
-
fraposa
Several packages, including poetry, poetry-plugin-export and fraposa_pgsc, will be installed as follows,
module load ceuadmin/Anaconda3/2023.09-0 pip install poetry pip3 install poetry-plugin-export pip install --use-feature=fast-deps . scripts/run_example.sh
This is necessay since by default
peotry install
will use user's home directory. As indicated frompoetry install --help
:The install command reads the poetry.lock file from the current directory, processes it, and downloads and installs all the libraries and dependencies outlined in that file. If the file does not exist it will look for pyproject.toml and do the same. ↩
-
pgsc_calc
Application, https://pgsc-calc.readthedocs.io/en/latest/index.html
nextflow run pgscatalog/pgsc_calc -profile test,singularity
It appears quarto is called so presumably under icelake.
For 2.0.3, we try the conda option. ↩
-
deno
Web: https://anaconda.org/conda-forge/deno/files
wget https://anaconda.org/conda-forge/deno/1.40.2/download/linux-64/deno-1.40.2-hfc7925d_0.conda -O deno.conda unzip deno.conda tar --use-compress-program=unzstd -xvf pkg-deno-1.40.2-hfc7925d_0.tar.zst
-
R
This replaces R/4.3.2. It is also R/latest. ↩
-
GitKraken
This replaces 8.1.0. ↩
-
automake
This is required by pspp 2.0.0. ↩
-
openssl
Archive, https://www.openssl.org/source/old/
wget -qO- https://www.openssl.org/source/openssl-3.2.1.tar.gz | \ tar xvfz - cd openssl-3.2.1/ export PERL5LIB= ./Configure --prefix=$CEUADMIN/openssl/3.2.1-icelake make make install
One can check version with
openssl version
. For 1.1.1b, it is the followiong,wget -qO- https://github.com/openssl/openssl/archive/refs/tags/OpenSSL_1_1_1b.tar.gz | \ tar xvfz - cd openssl-OpenSSL_1_1_1b/ config --prefix=$CEUADMIN/openssl/1.1.1b-icelake make install
Module
ceuadmin/openssl/3.2.1
actually points to/usr/local/Cluster-Apps/openssl/3.2.1
. ↩ -
openssh
OpenSSL is called first to use the specific
openssl
, e.g.,module load ceuadmin/openssl/3.2.1-icelake ./configure --prefix=$CEUADMIN/openssh/9.7p1-icelake --with-ssl-dir=$CEUADMIN/openssl/3.2.1-icelake make make install
Check is made with
cat config.log | grep -i openssl
. However, variable EVP_PKEY_bits is nonexistent. It turns out the default ssl is fine.configure --prefix=$CEUADMIN/openssh/9.7p1-icelake make make install
However,
EVP_KDF_ctrl
is missing with git. ↩ -
ensembl-vep
Note that a nextflow pipeline is now available from
nextflow/
. A test has been done as follows,export PERL5LIB= module load ceuadmin/libssh git clone https://github.com/Ensembl/ensembl-vep.git cd ensembl-vep perl INSTALL.pl -l Bio -y GRCh37 -a acfp -g all -s homo_sapiens,homo_sapiens_merged --NO_TEST -c .vep ./vep -i examples/homo_sapiens_GRCh38.vcf --cache .vep
A log file is kept here.
Moreover, we could also add some plugin data, https://github.com/Ensembl/VEP_plugins.
For the nearest gene, the
Set::IntervalTree
is required and is furnished as follows,cpanm -l /usr/local/Cluster-Apps/ceuadmin/ensembl-vep/111-icelake/Bio ExtUtils::CppGuess cpanm -l /usr/local/Cluster-Apps/ceuadmin/ensembl-vep/111-icelake/Bio ExtUtils::CBuilder cpanm -l /usr/local/Cluster-Apps/ceuadmin/ensembl-vep/111-icelake/Bio Set::IntervalTree
In general, with
perl -MCPAN -e shell
we specifyo conf makepl_arg "PREFIX=/usr/local/Cluster-Apps/ceuadmin/ensembl-vep/111-icelake/Bio" o conf makepl_arg "INSTALL_BASE=/usr/local/Cluster-Apps/ceuadmin/ensembl-vep/111-icelake/Bio" ‘o conf commit'
to see
commit: wrote '/home/jhz22/.cpan/CPAN/MyConfig.pm'
. However, this is NOT the case here.Our module has
PERL5LIB=$root/Bio:$root/Bio/lib/perl5/x86_64-linux-thread-multi/
.Our example data here is
442807041.vcf
,##fileformat=VCFv4.0 #CHROM POS ID REF ALT QUAL FILTER INFO 2 101332618 2:101332618_C_T T C . . .
and we run script,
vep --input_file 442807041.vcf \ --output_file 442807041.tab --force_overwrite \ --offline --cache --dir_cache /usr/local/Cluster-Apps/ceuadmin/ensembl-vep/111-icelake/.vep \ --species homo_sapiens --assembly GRCh37 --pick --nearest symbol --symbol \ --tab
Further information, https://www.ensembl.org/info/docs/tools/vep/script/vep_download.html. ↩
-
json-c
export LD_LIBRARY_PATH= wget -qO- https://github.com/json-c/json-c/archive/refs/tags/json-c-0.17-20230812.tar.gz | \ tar xvfz - cd json-c-0.17-20230812 mkdir build && cd build cmake -DCMAKE_INSTALL_PREFIX=/usr/local/Cluster-Apps/ceuadmin/json-c/0.17-20230812-icelake .. ln -sf /usr/include/locale.h xlocale.h make -I. make install
-
LVM2
Only device mapper is installed, i.e.,
make device-mapper make install_device-mapper
-
cryptosetup
# incomplete libssh in need of a fix module load cmake/3.21.3/intel/wce32356 wget -qO- https://www.libssh.org/files/0.10/libssh-0.10.6.tar.xz | \ tar xfJ - cd libssh-0.10.6 mkdir build && cd build cmake -DCMAKE_INSTALL_PREFIX=$CEUADMIN/libssh/0.10.6-icelake .. make module load ceuadmin/json-c/0.17-20230812-icelake module load ceuadmin/LVM2/2.03.23-icelake module load ceuadmin/popt/1.19-icelake module load gettext/0.21/gcc/qnrcglqo CFLAGS="-I/usr/local/Cluster-Apps/ceuadmin/LVM2/2.03.23-icelake/include" \ configure --prefix=$CEUADMIN/cryptsetup/2.7.1-icelake --disable-ssh-token
-
krb5-icelake
It is possible to use the default ssh.
configure --prefix=$CEUADMIN/krb5/1.21.2-icelake module load gettext/0.21/gcc/qnrcglqo make install
-
git-2.44.0-icelake
wget -qO- https://github.com/git/git/archive/refs/tags/v2.44.0.tar.gz | \ tar xvfz - cd git-2.44.0 make configure configure --prefix=${CEUADMIN}/git/2.44.0-icelake make make install
There remains an error message
git-remote-https: symbol lookup error: /usr/lib64/libk5crypto.so.3: undefined symbol: EVP_KDF_ctrl, version OPENSSL_1_1_1b
. ↩ -
peer
This is documented separately in the R section, https://cambridge-ceu.github.io/csd3/applications/peer.html. ↩
-
ImageMagick
wget -qO- https://github.com/ImageMagick/ImageMagick/archive/refs/tags/7.1.1-31.tar.gz | \ tar xvfz - cd ImageMagick-7.1.1-31/ ./configure --prefix=$CEUADMIN/ImageMagick/7.1.1-31 make make install
-
rtmpdump
It is necessary for
RCurl 1.98-1.14
. Withcurl-7.63.0-gcc-5.4.0-4uswlql
we could also installrtracklayer 1.64.0
.wget -qO- https://rtmpdump.mplayerhq.hu/download/rtmpdump-2.3.tgz |\ tar xvfz - cd rtmpdump-2.3 sed -i 's|/usr/local|/usr/local/Cluster-Apps/ceuadmin/rtmpdump/2.3|' Makefile sed -i 's|/usr/local|/usr/local/Cluster-Apps/ceuadmin/rtmpdump/2.3|' librtmp/Makefile make make install Rscript -e 'install.packages("RCurl")' Rscript -e 'BiocManager::install("rtracklayer")'
-
spyder
cd /rds/project/jmmh2/rds-jmmh2-public_databases/software wget https://github.com/spyder-ide/spyder/releases/download/v5.5.4/EXPERIMENTAL-Spyder-5.5.4-Linux-x86_64.sh bash EXPERIMENTAL-Spyder-5.5.4-Linux-x86_64.sh
-
crux
Web: https://crux.ms/ (https://github.com/crux-toolkit)
The binary provided requires GLIBC_2.29 which is not avaiable yet problematic with ceuadmin/glibc/2.29-icelake.
Under CentOS 7, it cannot access
https://noble.gs.washington.edu/crux-downloads/pwiz-src-3_0_24044_fd6604f.tar.bz2
. Under CentOS 8 we proceed withgit clone https://github.com/crux-toolkit && cd crux-toolkit export PERL5LIB= module load ceuadmin/openssh/9.7p1-icelake \ ceuadmin/openssl/3.2.1-icelake \ ceuadmin/libssh/0.10.6-icelake \ ceuadmin/boost/1.76.0 \ ceuadmin/krb5/1.21.2-icelake ceuadmin/p7zip-zstd/17.05 cmake . make
but fail due to the same reason since ld -lrt requires librt which is part of GLIBC_2.29. Nevertheless under ext/, comment the last line of
build_pwiz.cmake
will enable the whole process with the following errors on pwiz/usr/bin/ld: cannot find -lpwiz_data_msdata /usr/bin/ld: cannot find -lpwiz_data_msdata_mz5 /usr/bin/ld: cannot find -lpwiz_data_msdata_mzmlb /usr/bin/ld: cannot find -lpwiz_data_msdata_core /usr/bin/ld: cannot find -lpwiz_data_identdata /usr/bin/ld: cannot find -lhdf5pp collect2: error: ld returned 1 exit status
related to ProteoWizard, https://github.com/ProteoWizard/pwiz/, i.e.,
...failed updating 10 targets... ...skipped 376 targets... ...updated 836 targets... At least one pwiz target failed to build.
See
build/src/ProteoWizard/libraries
.There is a FAQ section from PrteoWizard (https://raw.githubusercontent.com/ProteoWizard/pwiz/981c7c70bfed46a145931dbea4da9e2edde72cf5/scripts/autotools/FAQ),
Standalone pwiz is available from https://proteowizard.sourceforge.io/download.html or https://github.com/ProteoWizard/pwiz and from pwiz-skyline docker: https://hub.docker.com/r/chambm/pwiz-skyline-i-agree-to-the-vendor-licenses
docker pull chambm/pwiz-skyline-i-agree-to-the-vendor-licenses docker run -it --rm chambm/pwiz-skyline-i-agree-to-the-vendor-licenses wine msconvert --help docker run -it --rm chambm/pwiz-skyline-i-agree-to-the-vendor-licenses wine SkylineCmd --help docker run -it --rm -e WINEDEBUG=-all -v /your/data:/data chambm/pwiz-skyline-i-agree-to-the-vendor-licenses \ wine msconvert /data/file.raw
Syntax for the last docker command using a virtual Linux machine (not CSD3!) with file named
/home/$USER/D/Downloads/szwk901104i19801xms1.raw
:docker run -it --rm -e WINEDEBUG=-all -v /home/jhz22/D/Downloads:/data chambm/pwiz-skyline-i-agree-to-the-vendor-licenses \ wine msconvert /data/szwk901104i19801xms1.raw --filter "peakPicking true 1-"
The screen output is as follows,
format: mzML m/z: Compression-Zlib, 64-bit intensity: Compression-Zlib, 32-bit rt: Compression-Zlib, 64-bit ByteOrder_LittleEndian indexed="true" outputPath: . extension: .mzML contactFilename: runIndexSet: spectrum list filters: peakPicking true 1- chromatogram list filters: filenames: /data\szwk901104i19801xms1.raw processing file: /data\szwk901104i19801xms1.raw calculating source file checksums writing output file: .\szwk901104i19801xms1.mzML
-
p7zip-zstd
A simple
make
is sufficient but it is necessary to implement a minor revision ofinstall.sh
, line 19, so thatDEST_HOME=/usr/local/Cluster-Apps/ceuadmin/p7zip-zstd/17.05
. ↩ -
boost
module load python/3.8.11/gcc/pqdmnzmw wget -qO- http://sourceforge.net/projects/boost/files/boost/1.76.0/boost_1_76_0.tar.gz | \ tar xvzf - cd boost_1_76_0 ./bootstrap.sh ./b2 --prefix=$CEUADMIN/boost/1.76.0 install ./bjam --with-regex --with-filesystem --with-iostreams --with-thread --with-program_options \ --with-serialization --with-system --with-date_time install export BOOST_ROOT=/usr/local/src/boost_1_76_0
-
wine
module load ceuadmin/krb5/1.21.2-icelake configure --prefix=${CEUADMIN}/wine/8.21 --enable-win64 make install
-
seqkit
An attempt is made with UniProt,
current_release/uniref/uniref100/
,knowledgebase/genome_annotation_tracks/UP000005640_9606_beds
.#!/usr/bin/bash export fasta=~/rds/public_databases/UniProt/uniref100.fasta.gz export fasta=~/rds/public_databases/UniProt/uniprot_sprot.fasta.gz export regions=UP000005640_9606_proteome.bed module load ceuadmin/seqkit seqkit subseq --bed ${regions} --seq-type protein --out-file output.fasta ${fasta} awk '{print $4}' ${regions} | sort | uniq > protein_ids.txt seqkit grep -f protein_ids.txt ${fasta} > output.fasta # A contrast with the genomic counterpart # bedtools getfasta -fo output.fasta -s -fullHeader -fi ${fasta} -bed ${regions}
-
dotnet
The paket tool is installed as follows,
cd /usr/local/Cluster-Apps/ceuadmin/dotnet/6.0.423 dotnet new tool-manifest dotnet tool install paket dotnet paket dotnet paket add Mono.Unix --version 7.1.0-final.1.21458.1
The last line above is for OpenMS. We see
.config/dotnet-tools.json
and alsoPaket version 8.0.3+75b30cdcb8859e8d129f139444d9b9b600bfff07 Adding package 'Mono.Unix' 7.1.0-final.1.21458.1 Resolving dependency graph... - Mono.Unix is pinned to 7.1.0-final.1.21458.1 Updated packages: Group: Main - Mono.Unix: 7.1.0-final.1.21458.1 (added) Created dependency graph (1 packages in total) Downloading Mono.Unix 7.1.0-final.1.21458.1 Download of Mono.Unix 7.1.0-final.1.21458.1 done in 249 milliseconds. (231504 kbit/s, 6 MB) - Project GenerateDeps.proj needs to be restored Resolved package 'Mono.Unix' to version 7.1.0-final.1.21458.1 Total time taken: 3 seconds
-
FlashLFQ
Web: https://github.com/smith-chem-wisc/FlashLFQ/wiki/Using-the-Command-Line
In the script below, a benchmark provided by the software available from
${FLASHLFQ_ROOT}/src/Test/SampleFiles
.module load ceuadmin/FlashLFQ flashlfq --idt MaxQuant/msms.txt --rep . --ppm 5 --chg
which works on
MaxQuant/msms.txt
and generatesFlashLfqSettings.toml
,QuantifiedPeaks.tsv
,QuantifiedPeptides.tsv
andQuantifiedProteins.tsv
. ↩ -
docker (to be amended)
The module
docker/24.0.5
enables information such as command options to be available.export folder=$CEUADMIN/docker/24.0.5 mkdir -p ${folder} cd ${folder} curl -fsSL https://download.docker.com/linux/static/stable/x86_64/docker-24.0.5.tgz -o docker.tgz tar xzvf docker.tgz --strip 1 export PATH=${folder}:$PATH export DOCKER_HOST=unix:///run/user/$(id -u)/docker.sock # a normal run: dockerd --experimental --rootless systemctl --user enable docker systemctl --user start docker docker run hello-world
A user-based set up of the rootless mode is necessary,
export mydocker=$CEUADMIN/docker/24.0.5 curl -fsSL https://raw.githubusercontent.com/docker/docker/master/contrib/dockerd-rootless-setuptool.sh \ -o $mydocker/dockerd-rootless-setuptool.sh chmod +x $mydocker/dockerd-rootless-setuptool.sh curl -fsSL https://raw.githubusercontent.com/docker/docker/master/contrib/dockerd-rootless.sh \ -o $mydocker/24.0.5/dockerd-rootless.sh chmod +x $mydocker/dockerd-rootless.sh wget -qO- https://github.com/rootless-containers/rootlesskit/releases/download/v2.1.0/rootlesskit-x86_64.tar.gz | \ tar xvfz - echo "$USER:100000:65536" > ~/.subuid echo "$USER:100000:65536" > ~/.subgid export DOCKER_ROOTLESS_SUBUID=$(cat ~/.subuid) export DOCKER_ROOTLESS_SUBGID=$(cat ~/.subgid) ${mydocker}/dockerd-rootless-setuptool.sh install
The process is modified slightly for the module. The use of ~/.subuid and ~/.subgid gets around the error messages,
########## BEGIN ########## sudo sh -eux <<EOF # Add subuid entry for jhz22 echo "jhz22:100000:65536" >> /etc/subuid # Add subgid entry for jhz22 echo "jhz22:100000:65536" >> /etc/subgid EOF ########## END ##########
One can check user and group id's with
id -u id -g
e.g.,
chmod 644 ~/.subuid ~/.subgid
.In turned out considerably easier to get different distributions from https://download.docker.com/linux/static/stable/x86_64/. ↩
-
podman (to be amended)
- podman executable
wget -qO- https://github.com/containers/podman/releases/download/v5.1.1/podman-remote-static-linux_amd64.tar.gz | tar xvfz - cd bin ln -s podman-remote-static-linux_amd64 podman echo "$USER:100000:65536" > $HOME/.subuid echo "$USER:100000:65536" > $HOME/.subgid cd ..
- podman-helpers/ and containers/
# podman-helpers mkdir podman-helpers && cd podman-helpers wget https://github.com/containers/gvisor-tap-vsock/releases/download/v0.7.3/gvproxy-linux-amd64 -O gvproxy chmod +x gvproxy wget https://github.com/containers/fuse-overlayfs/releases/download/v1.14/fuse-overlayfs-x86_64 chmod +x fuse-overlayfs-x86_64 curl -o slirp4netns --fail -L https://github.com/rootless-containers/slirp4netns/releases/download/v1.3.1/slirp4netns-$(uname -m) chmod +x slirp4netns cd .. # containers mkdir containers echo '[containers]' > containers/containers.conf echo '[engine]' >> containers/containers.conf echo 'helper_binaries_dir = "/home/jhz22/podman-helpers"' >> containers/containers.conf echo 'events_logger = "file"' >> containers/containers.conf ln -sf ${PWD}/containers $HOME/.config/containers # podman module load ceuadmin/qemu pkill podman podman system connection list podman machine init podman machine start podman run quay.io/podman/hello podman pull docker.io/library/hello-world podman run --rm docker.io/library/hello-world # additional notes podman machine rm podman-machine-default podman system connection add --default podman-machine-default ssh://core@127.0.0.1:39137/run/user/10024/podman/podman.sock
-
alpine
Module
ceuadmin/alpine/2.26-icelake
compiled usinggcc/11.2.0/gcc/rjvgspag
. ↩ -
qemu
This is done as follows,
export prefix=$CEUADMIN/qemu/ export ENV_DIR=$prefix/venv mkdir build && cd build module load python/3.8.11/gcc/pqdmnzmw python -m venv --system-site-packages ${ENV_DIR} source $prefix/venv/bin/activate pip install --prefix=${ENV_DIR} sphinx pip install --prefix=${ENV_DIR} sphinx_rtd_theme==1.1.1 pip install --prefix=${ENV_DIR} ninja wget -qO- https://download.qemu.org/qemu-9.0.1.tar.xz | \ tar vxJf - cd qemu-9.0.1 module load ncurses/6.2/gcc/givuz2aq libidn2/2.3.0/gcc/ph36ygoa module load gettext/0.21/gcc/qnrcglqo module load ceuadmin/gnutls/3.8.4-icelake ceuadmin/nettle/3.9-icelake ceuadmin/krb5/1.21.2-icelake export gettext=/usr/local/software/spack/spack-views/rhel8-icelake-20211027_2/gettext-0.21/gcc-11.2.0/qnrcglqov5au2zv56tumhhf4n6mds34n ../configure --prefix=$prefix/9.0.1\ --target-list=x86_64-softmmu \ --extra-ldflags="-L4gettext -lintl" \ --extra-cflags="-I$gettext/include" make -j4 make install
Without the
--taget-list
option all will be built.Examples
See https://github.com/guillem-riera/podman-machine-x86_64
export EXTRA_ARGS=${EXTRA_ARGS:-$@} ## Fedora CoreOS image for x86_64 (QEMU) export PODMAN_X86_64_MACHINE_NAME=${PODMAN_X86_64_MACHINE_NAME:-x86_64} export PODMAN_X86_64_MACHINE_NAME_EXISTS=$(podman machine list | grep ${PODMAN_X86_64_MACHINE_NAME} | wc -l | tr -d '[:space:]') export PODMAN_QEMU_IMAGE="fedora-coreos-39.20231101.3.0-qemu.x86_64.qcow2.xz" export DOWNLOAD_DIR=${DOWNLOAD_DIR:-.} if [ ${PODMAN_X86_64_MACHINE_NAME_EXISTS} -lt 1 ]; then curl -C- -O "https://builds.coreos.fedoraproject.org/prod/streams/stable/builds/39.20231101.3.0/x86_64/${PODMAN_QEMU_IMAGE}" podman machine init --image ${DOWNLOAD_DIR}/${PODMAN_QEMU_IMAGE} ${PODMAN_X86_64_MACHINE_NAME} ${EXTRA_ARGS} else echo "[Info] Machine ${PODMAN_X86_64_MACHINE_NAME} already exists. If you want to recreate it, run 'podman machine rm ${PODMAN_X86_64_MACHINE_NAME}'" fi podman machine list lsmod ## TCG (Tiny Code Generator) xz -d ${PODMAN_QEMU_IMAGE} qemu-system-x86_64 -m 2048 -cpu qemu64 -smp 2 -drive file=fedora-coreos-39.20231101.3.0-qemu.x86_64.qcow2,format=qcow2 -accel tcg ## Change machine settings ### Get the machine config file name machineConfigFile="$(podman machine inspect ${PODMAN_X86_64_MACHINE_NAME} | jq -r '.[].ConfigPath.Path')" ### https://docs.openstack.org/image-guide/obtain-images.html wget https://cloud-images.ubuntu.com/noble/current/noble-server-cloudimg-amd64.img qemu-system-x86_64 -m 2048 -cpu qemu64 -smp 2 -drive file=noble-server-cloudimg-amd64.img,format=qcow2 -accel tcg ### No GUI qemu-system-x86_64 -m 2048 -cpu qemu64 -smp 2 -drive file=fedora-coreos-39.20231101.3.0-qemu.x86_64.qcow2,format=qcow2,cache=writeback -nographic
where
format=raw
appears considerably faster but can make the image less flexible (e.g., no snapshots). ↩ -
hivex
wget -qO- https://download.libguestfs.org/hivex/hivex-1.3.23.tar.gz | tar xfz - cd hivex-1.3.23 module load ceuadmin/ocaml/4.14.2 module load ceuadmin/ruby/2.7.5 export PERLB5LIB= autoreconf -i --force ./generator/generator.ml ./configure --prefix=$CEUADMIN/hivex/1.3.23 make cd perl perl Makefile.PL INSTALLDIRS=site INSTALL_BASE=/usr/local/Cluster-Apps/ceuadmin/hivex/1.3.23 cd .. make make install
The release version has
hivex.h
but GitHub releases doesn't; however since ocaml is available it can be generated fromgenerator/generator.ml
.. TheINSTALL_PREFIX
is replaced withINSTALL_BASE
. Moreover, ocaml, Perl and ruby are enabled. Due to permission issue, Python binding is not enabled./usr/bin/install: cannot create regular file '/usr/local/software/spack/spack-views/._rhel8-icelake-20211027_2/uxqqj4xcjrltatqgtuoi2hp46uabtzom/python-3.8.11/gcc-11.2.0/pqdmnzmwkrtp4e3gjibmcxho7g6ekpat/lib/python3.8/site-packages/libhivexmod.cpython-38-x86_64-linux-gnu.so': Permission denied
-
findlib
wget -qO- http://download.camlcity.org/download/findlib-1.9.6.tar.gz | tar xfz - cd findlib-1.9.6 configure -bindir $CEUADMIN/findlib/1.9.6/bin -mandir $CEUADMIN/findlib/1.9.6/man make make install
-
opam
opam init opam switch list opam switch list-available opam switch create ocaml-4.14 opam install -y hivex --destdir $CEUADMIN/hivex/1.3.23
-
libguestfs
wget -qO- https://download.libguestfs.org/1.52-stable/libguestfs-1.52.2.tar.gz | tar xfz - cd libguestfs-1.52.2 ./configure --prefix=$CEUADMIN/libguestfs/1.48.6 \ --with-extra="findlib=$CEUADMIN/findlib/1.9.6" \ --with-extra="hivex=$CEUADMIN/hivex/1.3.23"
It appears
export LIBGUESTFS_BACKEND=direct
is working. ↩ -
MS-GF+
A
test.sh
using examples from the source (msgfplus-2024.03.26.tar.gz
– assuming it has bene untarred intosrc/
),ln -s src/src/test/resources test java -Xmx4000M -jar MSGFPlus.jar -s test/test.mgf -o test/test.mzid \ -d test/BSA.fasta -t 10ppm -m 0 -inst 1 -e 1 -ti -1,2 -ntt 1 -tda 1 -minLength 6 \ -maxLength 50 -n 1 -thread 7 -mod test/Mods.txt java -Xmx4000M -jar MSGFPlus.jar -s test/test.mgf -o test/test.mzid \ -d test/BSA.fasta -conf test/MSGFDB_Param.txt
-
FragPipe
It does require Java 11, MSFragger 4.1, Python 3.9, and EasyPQp; to get around we use
openjdk/11.0.12_7/gcc/czpuqhmv
,ceuadmin/MSFragger/4.1
,ceuadmin/Anaconda3/2023.09-0
.source /usr/local/Cluster-Apps/ceuadmin/Anaconda3/2023.09-0/bin/activate pip install git+https://github.com/grosenberger/easypqp.git@master
IonQuant 1.10.27 is installed similarly. In fact, it is is straightforwad to select
Download Update
from the menu, soIonQuant-1.10.27.jar
,/MSFragger-4.1/
, anddiaTracer-1.1.5.jar
are available from thetools/
directory. ↩ -
curl
wget -qO- wget https://curl.se/download/curl-7.85.0.tar.gz | \ tar xfz - cd curl-7.85.0/ module load ceuadmin/openssl/3.2.1 configure --prefix=$CEUADMIN/curl/7.85.0 --with-openssl make make install
-
libjpeg-turbo
wget -qO- https://github.com/libjpeg-turbo/libjpeg-turbo/archive/refs/tags/3.0.4.tar.gz | \ tar xvfz - cd libjpeg-turbo-3.0.4/ mkdir build cd build cmake -G"Unix Makefiles" -DCMAKE_INSTALL_PREFIX=$CEUADMIN/libjpeg-turbo/3.0.4 .. make make install
-
libgeotiff
module load ceuadmin/autoconf/2.72c.24-8e728 module load ceuadmin/proj/7.2.1 module load ceuadmin/libjpeg-turbo/3.0.4 module load zlib/1.2.11 wget -qO- https://github.com/OSGeo/libgeotiff/archive/refs/tags/1.7.3.tar.gz | \ tar xvfz - cd libgeotiff-1.7.3/ cd libgeotiff autoupdate autogen.sh configure --prefix=$CEUADMIN/libgeotiff/1.7.3 \ --with-jpeg=$CEUADMIN/libjpeg-turbo/3.0.4 \ --with-libtiff=$CEUADMIN/tiff/4.6.0 \ --with-proj=$CEUADMIN/proj/7.2.1 \ --with-zlib=/usr/local/Cluster-Apps/zlib/1.2.11 make -j3 make check make install
-
gdal 3.7.0
Web: https://gdal.org/en/latest/development/building_from_source.html
wget -qO- https://github.com/OSGeo/gdal/releases/download/v3.7.0/gdal-3.7.0.tar.gz | \ tar xvfz - cd gdal-3.7.0 mkdir build && cd build module load ceuadmin/curl/7.85.0 module load ceuadmin/libiconv/1.17 module load ceuadmin/libarchive/3.7.5 module load ceuadmin/libgeotiff/1.7.3 module load ceuadmin/libjpeg-turbo/3.0.4 module load ceuadmin/libpng/1.5.30 module load ceuadmin/openssl/3.2.1 module load ceuadmin/poppler/0.84.0 module load ceuadmin/tiff/4.6.0 cmake -DGDAL_ENABLE_CURL=ON \ -DGDAL_ENABLE_OGR=ON \ -DGDAL_ENABLE_LIBARCHIVE=ON \ -DGDAL_ENABLE_OPENSSL=ON \ -DCMAKE_INSTALL_PREFIX=$CEUADMIN/gdal/3.7.0 \ -DCURL_INCLUDE_DIR=$CEUADMIN/curl/7.85.0/include \ -DCURL_LIBRARY_RELEASE=$CEUADMIN/curl/7.85.0/lib/libcurl.so \ -DGEOTIFF_INCLUDE_DIR=$CEUADMIN/libgeotiff/1.7.3/include \ -DGEOTIFF_LIBRARY_RELEASE=$CEUADMIN/libgeotiff/1.7.3/lib/libgeotiff.so \ -DARCHIVE_INCLUDE_DIR=$CEUADMIN/libarchive/3.7.5/include \ -DARCHIVE_LIBRARY=$CEUADMIN/libarchive/3.7.5/lib/libarchive.so \ -DCRYPTOPP_INCLUDE_DIR=$CEUADMIN/cryptopp/8.9.0/include \ -DCRYPTOPP_LIBRARY_RELEASE=$CEUADMIN/cryptopp/8.9.0/lib/libcryptopp.so \ -DIconv_INCLUDE_DIR=$CEUADMIN/libiconv/1.17/include \ -DIconv_LIBRARY=$CEUADMIN/libiconv/1.17/lib/libiconv.so \ -DJPEG_INCLUDE_DIR=$CEUADMIN/libjpeg-turbo/3.0.4/include \ -DJPEG_LIBRARY_RELEASE=$CEUADMIN/libjpeg-turbo/3.0.4/lib64/libjpeg.so \ -DOPENSSL_INCLUDE_DIR=$CEUADMIN/openssl/3.2.1/include \ -DOPENSSL_CRYPTO_LIBRARY=$CEUADMIN/openssl/3.2.1/lib/libcrypto.so \ -DOPENSSL_SSL_LIBRARY=$CEUADMIN/openssl/3.2.1/lib/libssl.so \ -DPNG_PNG_INCLUDE_DIR=$CEUADMIN/libpng/1.5.30/include \ -DPNG_LIBRARY_RELEAS=$CEUADMIN/libpng/1.5.30/lib \ -DPoppler_INCLUDE_DIR=$CEUADMIN//poppler/0.84.0/include \ -DPoppler_LIBRARY=$CEUADMIN/poppler/0.84.0/lib64/libpoppler.so \ -DPROJ_LIBRARY=$CEUADMIN/proj/7.2.1/lib/libproj.so \ -DPROJ_INCLUDE_DIR=$CEUADMIN/proj/7.2.1/include \ -DTIFF_LIBRARY=$CEUADMIN/tiff/4.6.0/lib/libtiff.so \ -DTIFF_INCLUDE_DIR=$CEUADMIN/tiff/4.6.0/include \ .. make module load ceuadmin/Anaconda3/2023.09-0 pip install rasterio pip install geopandas pip install gdal==3.7.0
where
pip install gdal
useslibgdal.so
just built. ↩ -
inetutils
This is already in the list of decommissioned GNU packages, https://www.gnu.org/software/software.en.html; nevertheless
finger
is still useful from Fedora 28. ↩ -
firefox
This is the nightly version, in an attempt to explore why the release to CentOS 8 crashes.
git clone https://github.com/mozilla/gecko-dev.git cd gecko-dev module load python/3.8.11/gcc/pqdmnzmw ./mach bootstrap for f in $(ls ~/.local/bin); do ln -sf ~/.local/bin/$f ~/bin/$f; done export TMPDIR=$HPC_WORK/work export MOZ_DISABLE_GPU=1 ./mach help ./mach configure --prefix=$CEUADMIN/firefox/nightly ./mach build -j4 ./mach install ./mach run --setpref="layers.acceleration.disabled=true" ./mach run --disable-e10s ulimit -a ./mach clean
There is also
GNUmakefile
(extended version as in here listed below) which can be used bygmake
.# This Makefile is a shim for users with muscle memory for the "make" command. # It's not intended for production usage or anything important. # Default target to pull, clean, configure, build, and install all: pull configure build install # Module loading function (macro) define load_modules if command -v module > /dev/null 2>&1; then \ . /etc/profile.d/modules.sh; \ module purge; \ module load rhel8/default-icl; \ module load python/3.8.11/gcc/pqdmnzmw; \ else \ echo "Module system not available. Skipping module commands."; \ fi endef # Pull the latest changes from the repository (without module loading) pull: @echo "Pulling latest code..." git pull # Configure the build environment configure: @echo "Running configuration with prefix: $(CEUADMIN)/firefox/nightly" @# Ensure CEUADMIN is set or use a default value $(if $(CEUADMIN),,$(error "CEUADMIN environment variable not set")) $(call load_modules) ./mach configure --prefix=$(CEUADMIN)/firefox/nightly # Build the project build: @echo "Building the project..." $(call load_modules) ./mach build # Install the project install: @echo "Installing the project..." $(call load_modules) ./mach install # Clean the build clean: @echo "Cleaning the build..." ./mach clobber # Mark targets that don't represent files .PHONY: all pull configure build install clean