From 34522362efb91cb77970fbe72c862c9fc1211105 Mon Sep 17 00:00:00 2001 From: Easy Build <easybuild@login4.head.smc.salomon.it4i.cz> Date: Mon, 11 Feb 2019 09:55:20 +0100 Subject: [PATCH] Mon, 11 Feb 2019 09:55:19 +0100 --- salomon.csv | 242 +++++++++++++++++++++++++++++++--------------------- salomon.md | 39 ++++++--- uv2000.csv | 53 +++++++++--- uv2000.md | 4 + 4 files changed, 219 insertions(+), 119 deletions(-) diff --git a/salomon.csv b/salomon.csv index abbcf696..129bdda3 100644 --- a/salomon.csv +++ b/salomon.csv @@ -14,18 +14,21 @@ Advisor/2017_update3,2 Advisor/2017_update5,2 aislinn/20160105-Python-2.7.9-gompi-2015e,2 ALAMODE/0.9.8-intel-2017a,2 +alchemical-analysis/1.0.1-Py-2.7,2 +alchemlyb/0.1.0-Py-2.7,2 almost/2.1.0-foss-2015b,2 almost/2.1.0-foss-2015g,2 almost/2.1.0-foss-2016a,2 almost/2.1.0-intel-2015b,2 Amber/14,2 Amber/18-intel-2017b,2 -Anaconda2/4.4.0,2 -Anaconda3/4.4.0,2 +Anaconda2/5.3.1,2 +Anaconda3/5.3.1,2 ANSYS/16.1,2 ANSYS/18.2-intel-2017a,2 ANSYS/19.0-intel-2017b,2 ANSYS/19.1-intel-2017c,2 +ANSYS/19.3-intel-2017c,2 ant/1.9.3-Java-1.7.0_79,2 APR/1.5.2,2 APR/1.5.2-foss-2015g,2 @@ -35,8 +38,6 @@ argparse/1.4.0-Py-2.7,2 Armadillo/7.500.0-foss-2016a-Python-3.5.2,2 arpack-ng/3.3.0-foss-2016a,2 arpack-ng/3.3.0-intel-2015b,2 -arpack-ng/3.3.0-intel-2017.00,2 -arpack-ng/3.4.0-intel-2017.00,2 arpack-ng/3.5.0-intel-2017a,2 ASE/3.15.0-Py-3.6,2 ASE/3.15.0-Python-2.7.13-base-test,2 @@ -51,19 +52,24 @@ ATLAS/3.10.3-GCC-6.3.0-2.27-LAPACK-3.6.1,2 ATLAS/3.10.3-GCC-7.1.0-2.28-LAPACK-3.6.1,2 attrs/17.4.0-Py-2.7,2 attrs/17.4.0-Py-3.6,2 +Autoconf/2.68,2 Autoconf/2.69,2 Autoconf/2.69-foss-2015g,2 -Autoconf/2.69-GCCcore-6.4.0,2 +Autoconf/2.69-GCCcore-4.9.3,2 +Autoconf/2.69-GCCcore-7.3.0,2 Autoconf/2.69-intel-2017a,2 Automake/1.15,2 +Automake/1.15-GCCcore-4.9.3,2 Automake/1.15-intel-2017a,2 Automake/1.16.1,2 +Automake/1.16.1-GCCcore-7.3.0,2 Autotools/20150215,2 +Autotools/20150215-GCCcore-4.9.3,2 Autotools/20150215-intel-2017a,2 Autotools/20180311,2 +Autotools/20180311-GCCcore-7.3.0,2 backports_abc/0.5-Py-2.7,2 Bash/4.2-intel-2015b,2 -Bash/4.3,2 Bash/4.4-GCC-6.3.0-2.27,2 Bash/4.4-intel-2017b,2 Bazel/0.18.1-GCC-6.3.0-2.27,2 @@ -77,19 +83,24 @@ bcl2fastq2/2.20.0-intel-2017a-Python-2.7.13,2 bcrypt/3.1.4-Py-2.7,2 BeoPEST/14.02-GCC-6.3.0-2.27,2 BerkeleyUPC/2.16.2-gompi-2015b,2 +binutils/2.25,2 binutils/2.25-GCC-4.9.3-binutils-2.25,2 binutils/2.25-GCC-5.1.0-binutils-2.25,2 binutils/2.25-GCCcore-4.9.3,2 binutils/2.25-GCCcore-5.3.0,2 binutils/2.25-GCCcore-5.3.1-snapshot-20160419,2 +binutils/2.26,2 binutils/2.26-GCCcore-5.3.0,2 binutils/2.26-GCCcore-5.4.0,2 binutils/2.27,2 binutils/2.27-GCCcore-6.3.0,2 binutils/2.28,2 -binutils/2.28-GCCcore-6.4.0,2 binutils/2.28-GCCcore-7.1.0,2 +binutils/2.30,2 +binutils/2.30-GCCcore-7.3.0,2 binutils/2.30-GCCcore-8.1.0,2 +binutils/2.31.1,2 +binutils/2.31.1-GCCcore-8.2.0,2 Bison/2.5-intel-2015b,2 Bison/2.7,2 Bison/2.7-foss-2015b,2 @@ -98,6 +109,7 @@ Bison/3.0.4,2 Bison/3.0.4-foss-2016a,2 Bison/3.0.4-GCCcore-6.3.0,2 Bison/3.0.4-intel-2016.01,2 +Bison/3.0.5,2 bleach/1.5.0-Py-3.6,2 bleach/2.1.2-Py-3.6,2 BoltzTraP2/18.1.1-Py-3.6,2 @@ -123,9 +135,11 @@ Boost/1.63.0-intel-2017a-Python-2.7.13,2 Boost/1.66.0-foss-2017a-Py-2.7,2 Boost/1.66.0-foss-2018a-Py-2.7,2 Boost/1.66.0-intel-2017b-serial,2 -Boost/1.66.0-intel-2018a,2 Boost/1.67.0-intel-2017c-serial,2 +Boost/1.68.0-foss-2018a-Py-2.7,2 +Boost/1.68.0-gompi-2019.02-Python-2.7.15,2 Boost/1.68.0-intel-2017c-serial,2 +Boost/1.68.0-intel-2018a-serial,2 BWA/0.7.17-intel-2017a,2 BWA/0.7.5a-foss-2015g,2 byacc/20120526,2 @@ -166,11 +180,11 @@ CGAL/4.12-intel-2017a,2 CGAL/4.8.1-intel-2017a,2 ChronusQ/20180802-intel-2017c,2 Clang/3.7.0-GNU-5.1.0-2.25,2 -Clang/5.0.0-GCC-6.3.0-2.27,2 +Clang/7.0.1,2 +Clang/7.0.1-gompi-2019.02,2 click/6.7-Py-3.6,2 Clp/1.16.10-intel-2017a,2 -CMake/3.11.1-GCCcore-6.4.0,2 -CMake/3.11.4-GCC-6.3.0-2.27,2 +CMake/3.13.1,2 CMake/3.3.1-intel-2016.01,2 CMake/3.5.2,2 CMake/3.5.2-foss-2016a,2 @@ -186,15 +200,12 @@ Coreutils/8.30-GCCcore-8.1.0,2 CP2K/2.6.0-intel-2015b,2 CP2K/5.1,2 cryptography/2.3-Py-2.7,2 +cst-studio/2019,2 Cube/4.3.4-intel-2015b,2 Cube/4.3.5,2 -Cube/4.3.5-intel-2017a,2 CUDA/7.5.18,2 CUDA/8.0.61,2 CUDA/9.1.85,2 -cURL/7.45.0-foss-2015b,2 -cURL/7.47.0-intel-2017.00,2 -cURL/7.51.0-intel-2017.00,2 cURL/7.53.1,2 cURL/7.53.1-GCCcore-6.3.0,2 cURL/7.56.1,2 @@ -215,6 +226,7 @@ decorator/4.2.1-Py-3.6,2 deMonNano/4.3.6,2 Digimat/5.0.1-COM,2 Digimat/5.0.1-EDU,2 +dill/0.2.9-Py-2.7,2 dist-keras/0.2.1-Py-3.6,2 DMTCP/2.5.1,2 DMTCP/2.5.2,2 @@ -222,10 +234,13 @@ DMTCP/3.0,2 Doris/4.06beta2-intel-2017a,2 Doris/5.0beta-foss-2017a,2 Doris/5.0beta-foss-2017a-test,2 +dos2unix/7.4.0,2 dotNET-Core-Runtime/2.0.7,2 dotNET-Core-Runtime/2.1.4,2 +dotNET-Core-Runtime/2.2.0,2 dotNET-Core-SDK/2.1.200,2 dotNET-Core-SDK/2.1.402,2 +dotNET-Core-SDK/2.2.101,2 Doxygen/1.8.11,2 Doxygen/1.8.11-intel-2017a,2 Doxygen/1.8.13-GCCcore-6.3.0,2 @@ -239,10 +254,16 @@ EasyBuild/3.2.0,2 EasyBuild/3.6.2,2 EasyBuild/3.7.0,2 EasyBuild/3.7.1,2 +EasyBuild/3.7.1-develop,2 +EasyBuild/3.8.0,2 +EasyBuild/3.8.1,2 +ed/1.9,2 Eigen/3.3.3,2 Eigen/3.3.5-GCC-6.3.0-2.27,2 +Eigen/3.3.7,2 Elk/4.3.6-intel-2017a,2 Elk/4.3.6-intel-2017a-openmp,2 +ELPA/2016.11.001.pre-intel-2017a,2 Embree/2.16.2-intel-2017a,2 Embree/3.2.0-intel-2017a,2 enum34/1.1.6-Py-2.7,2 @@ -253,18 +274,17 @@ expat/2.1.0,2 expat/2.1.0-foss-2015b,2 expat/2.1.0-foss-2015g,2 expat/2.1.0-intel-2015b,2 -expat/2.1.0-intel-2017.00,2 expat/2.2.0,2 +expat/2.2.6,2 expat/2.2.6-GCC-6.3.0-2.27,2 fasteners/0.14.1-Py-2.7,2 FastQC/0.11.3,2 +Fedora/29,2 FEFLOW/7.0-intel-2017a,2 FEFLOW/7.1-intel-2017a,2 FEFLOW/7.1u06-intel-2017a,2 -ffmpeg/2.4,2 -ffmpeg/2.4-foss-2015g,2 ffmpeg/2.4-intel-2015b,2 -FFmpeg/3.1.3-intel-2017a,2 +FFmpeg/4.1,2 FFTW/2.1.5-gompi-2015b,2 FFTW/2.1.5-iimpi-7.3.5-GNU-5.1.0-2.25,2 FFTW/3.3.4-gompi-2015b,2 @@ -278,7 +298,6 @@ FFTW/3.3.5-foss-2016a,2 FFTW/3.3.5-gompi-2016a,2 FFTW/3.3.5-intel-2016.01,2 FFTW/3.3.5-intel-2016a,2 -FFTW/3.3.5-intel-2017.00,2 FFTW/3.3.5-intel-2017a,2 FFTW/3.3.6-foss-2017a,2 FFTW/3.3.6-gompi-2017a,2 @@ -286,6 +305,8 @@ FFTW/3.3.6-gompi-2017b,2 FFTW/3.3.6-intel-2017a,2 FFTW/3.3.7-GCC-6.3.0-2.27,2 FFTW/3.3.7-gompi-2018a,2 +FFTW/3.3.8-GCC-8.1.0-2.30,2 +FFTW/3.3.8-gompi-2019.02,2 FIAT/1.6.0-intel-2015b-Python-2.7.11,2 FIAT/1.6.0-intel-2015b-Python-2.7.9,2 FIAT/1.6.0-intel-2016.01-Python-2.7.9,2 @@ -310,9 +331,9 @@ FLTK/1.3.4,2 fontconfig/2.11.1,2 fontconfig/2.11.1-foss-2015b,2 fontconfig/2.11.1-intel-2015b,2 -fontconfig/2.11.94-intel-2017.00,2 fontconfig/2.12.1-GCCcore-6.3.0-libpng-1.6.29,2 fontconfig/2.12.1-libpng-1.6.29,2 +fontconfig/2.13.0,2 fontconfig/2.13.0-libpng-1.6.34,2 fontsproto/2.1.3,2 fontsproto/2.1.3-foss-2015g,2 @@ -349,14 +370,15 @@ freetype/2.5.3-foss-2015g,2 freetype/2.5.3-intel-2015b,2 freetype/2.5.5-intel-2015b,2 freetype/2.6.2-intel-2016a,2 -freetype/2.6.2-intel-2017.00,2 freetype/2.6.3,2 freetype/2.6.3-foss-2016a,2 freetype/2.6.3-intel-2016a,2 freetype/2.7.1-libpng-1.6.29,2 freetype/2.8,2 +freetype/2.9.1,2 freetype/2.9.1-libpng-1.6.34,2 FriBidi/1.0.2,2 +FriBidi/1.0.5,2 funcsigs/1.0.2-Py-2.7,2 gast/0.2.0-Py-3.6,2 GATK/2.6-5-Java-1.7.0_79,2 @@ -376,8 +398,8 @@ GCC/5.3.0-2.26,2 GCC/5.3.1-snapshot-20160419-2.25,2 GCC/5.4.0-2.26,2 GCC/6.3.0-2.27,2 -GCC/6.4.0-2.28,2 GCC/7.1.0-2.28,2 +GCC/7.3.0-2.30,2 GCC/8.1.0-2.30,2 GCCcore/4.9.3,2 GCCcore/5.1.1-knf,2 @@ -385,10 +407,10 @@ GCCcore/5.3.0,2 GCCcore/5.3.1-snapshot-20160419,2 GCCcore/5.4.0,2 GCCcore/6.3.0,2 -GCCcore/6.4.0,2 GCCcore/7.1.0,2 +GCCcore/7.3.0,2 GCCcore/8.1.0,2 -GDAL/2.0.2-intel-2017.00,2 +GCCcore/8.2.0,2 GDAL/2.1.0-GNU-5.1.0-2.25-intel-2015b,2 GDAL/2.1.3-Python-2.7.13,2 GDAL/2.3.2-GCC-6.3.0-2.27-Py-2.7,2 @@ -406,7 +428,7 @@ gettext/0.19.6-foss-2016a,2 gettext/0.19.8.1,2 gettext/0.19.8,2 Ghostscript/9.21-intel-2017a,2 -git/2.18.0,2 +git/2.19.1,2 GL2PS/1.4.0-intel-2017a,2 GLib/2.40.0,2 GLib/2.40.0-foss-2015g,2 @@ -436,6 +458,7 @@ GMP/6.1.1,2 GMP/6.1.1-foss-2017a,2 GMP/6.1.1-intel-2017a,2 GMP/6.1.2,2 +GMP/6.1.2-GCCcore-7.3.0,2 GNU/4.9.3-2.25,2 GNU/5.1.0-2.25,2 GNU/5.1.0-2.25-intel-2015b,2 @@ -455,17 +478,18 @@ gompi/2016a,2 gompi/2017a,2 gompi/2017b,2 gompi/2018a,2 +gompi/2019.02,2 gperf/3.0.4-foss-2015g,2 gperf/3.0.4-foss-2016a,2 gperf/3.0.4-intel-2016a,2 gperf/3.0.4-intel-2017a,2 gperf/3.1,2 +gperftools/2.7,2 gperftools/2.7-GCC-6.3.0-2.27,2 GPI-2/1.1.1-gompi-2015e,2 GPI-2/1.1.1-gompi-2015e-MPI,2 grace/5.1.25-intel-2015b,2 Graph500/3.0.0-foss-2018a,2 -Graph500/3.0.0-intel-2018a,2 Graph500/3.0.0rc1-foss-2016a,2 GraphicsMagick/1.3.25-intel-2017a,2 greenlet/0.4.15-Py-2.7,2 @@ -481,6 +505,7 @@ GROMACS/5.0.4-foss-2015g-hybrid-single-PLUMED,2 GROMACS/5.0.4-ictce-7.3.5-hybrid-single,2 GROMACS/5.1.2-foss-2015g-hybrid-single-PLUMED,2 GROMACS/5.1.4-foss-2016a-hybrid-single-PLUMED,2 +GROMACS/5.1.4-foss-2016a-hybrid-single-PLUMED-test,2 GROMACS/5.1.4-foss-2016a-hybrid-single-PLUMED-v2,2 grpcio/1.9.1-Py-3.6,2 GSL/1.16-intel-2015b,2 @@ -505,6 +530,8 @@ h5py/2.4.0-ictce-7.3.5-Python-2.7.9-serial,2 h5py/2.7.0-intel-2017a-Python-2.7.13-base,2 h5py/2.7.1-Py-2.7,2 h5py/2.7.1-Py-3.6,2 +h5py/2.9.0-intel-2018a-Py-2.7,2 +h5py/2.9.0-intel-2018a-Py-2.7-test,2 Hadoop/2.8.0-native,2 HarfBuzz/1.1.3,2 HarfBuzz/1.3.1,2 @@ -518,17 +545,20 @@ HDF5/1.10.1-foss-2017a,2 HDF5/1.10.1-foss-2017a-serial,2 HDF5/1.10.1-GCC-6.3.0-2.27-serial,2 HDF5/1.10.1-iomkl-2017b,2 +HDF5/1.10.2-intel-2017a,2 +HDF5/1.10.4-gompi-2019.02-parallel,2 +HDF5/1.10.4-gompi-2019.02-serial,2 +HDF5/1.10.4-intel-2018a-parallel,2 +HDF5/1.10.4-intel-2018a-serial,2 HDF5/1.8.13-foss-2015g,2 HDF5/1.8.13-intel-2015b,2 HDF5/1.8.13-intel-2015b-no-mpi,2 HDF5/1.8.13-intel-2016.01,2 HDF5/1.8.14-ictce-7.3.5-serial,2 -HDF5/1.8.15-patch1-foss-2015b,2 HDF5/1.8.16-foss-2015g,2 HDF5/1.8.16-foss-2016a,2 HDF5/1.8.16-intel-2015b,2 HDF5/1.8.16-intel-2015b-threadsafe,2 -HDF5/1.8.16-intel-2017.00,2 HDF5/1.8.17-intel-2017a,2 HDF5/1.8.18-foss-2017a-serial,2 HDF5/1.8.18-intel-2017a-serial,2 @@ -549,11 +579,13 @@ hwloc/1.11.3-GCC-5.3.0-2.26,2 hwloc/1.11.4-iccifort-2017.1.132-GCC-5.4.0-2.26,2 hwloc/1.11.5-GCC-6.3.0-2.27,2 hwloc/1.11.6-GCC-6.3.0-2.27,2 -hwloc/1.11.7-c7,2 +hwloc/1.11.7-GCC-4.9.3-2.25,2 hwloc/1.11.7-GCC-6.3.0-2.27,2 hwloc/1.11.7-GCC-7.1.0-2.28,2 +hwloc/1.11.7-GCC-7.3.0-2.30,2 hwloc/1.11.7-PGI-18.5-GCC-6.3.0-2.27,2 hwloc/1.5-GCC-4.4.7-system,2 +hwloc/2.0.3-GCC-6.3.0-2.27,2 HyperLoom/0.9,2 HyperWorks/13.0,2 Hypre/2.10.0b-intel-2015b,2 @@ -567,16 +599,15 @@ icc/2015.3.187-GNU-5.1.0-2.25,2 icc/2016.1.150,2 icc/2016.1.150-GCC-4.9.3,2 icc/2016.1.150-GCC-4.9.3-2.25,2 -icc/2017.0.098-GCC-5.4.0-2.26,2 icc/2017.1.132-GCC-5.4.0-2.26,2 icc/2017.1.132-GCC-6.3.0-2.27,2 icc/2017.4.196-GCC-6.3.0-2.27,2 -icc/2017.4.196-GCC-6.4.0-2.28,2 icc/2017.5.239-GCC-6.3.0-2.27,2 icc/2017.7.259-GCC-6.3.0-2.27,2 -icc/2018.1.163-GCC-6.4.0-2.28,2 +icc/2018.1.163-GCC-6.3.0-2.27,2 icc/2018.3.222-GCC-8.1.0-2.30,2 icc/2019.0.117-GCC-6.3.0-2.27,2 +icc/2019.1.144-GCC-6.3.0-2.27,2 iccifort/2013.5.192-GCC-4.8.3,2 iccifort/2015.3.187,2 iccifort/2015.3.187-GNU-4.9.3-2.25,2 @@ -584,16 +615,15 @@ iccifort/2015.3.187-GNU-5.1.0-2.25,2 iccifort/2016.1.150,2 iccifort/2016.1.150-GCC-4.9.3,2 iccifort/2016.1.150-GCC-4.9.3-2.25,2 -iccifort/2017.0.098-GCC-5.4.0-2.26,2 iccifort/2017.1.132-GCC-5.4.0-2.26,2 iccifort/2017.1.132-GCC-6.3.0-2.27,2 iccifort/2017.4.196-GCC-6.3.0-2.27,2 -iccifort/2017.4.196-GCC-6.4.0-2.28,2 iccifort/2017.5.239-GCC-6.3.0-2.27,2 iccifort/2017.7.259-GCC-6.3.0-2.27,2 -iccifort/2018.1.163-GCC-6.4.0-2.28,2 +iccifort/2018.1.163-GCC-6.3.0-2.27,2 iccifort/2018.3.222-GCC-8.1.0-2.30,2 iccifort/2019.0.117-GCC-6.3.0-2.27,2 +iccifort/2019.1.144-GCC-6.3.0-2.27,2 ictce/7.3.5,2 ictce/8.3.5,2 idna/2.7-Py-2.7,2 @@ -604,26 +634,25 @@ ifort/2015.3.187-GNU-5.1.0-2.25,2 ifort/2016.1.150,2 ifort/2016.1.150-GCC-4.9.3,2 ifort/2016.1.150-GCC-4.9.3-2.25,2 -ifort/2017.0.098-GCC-5.4.0-2.26,2 ifort/2017.1.132-GCC-5.4.0-2.26,2 ifort/2017.1.132-GCC-6.3.0-2.27,2 ifort/2017.4.196-GCC-6.3.0-2.27,2 -ifort/2017.4.196-GCC-6.4.0-2.28,2 ifort/2017.5.239-GCC-6.3.0-2.27,2 ifort/2017.7.259-GCC-6.3.0-2.27,2 -ifort/2018.1.163-GCC-6.4.0-2.28,2 +ifort/2018.1.163-GCC-6.3.0-2.27,2 ifort/2018.3.222-GCC-8.1.0-2.30,2 ifort/2019.0.117-GCC-6.3.0-2.27,2 +ifort/2019.1.144-GCC-6.3.0-2.27,2 iimpi/2016.00-GCC-4.9.3,2 iimpi/2016.01-GCC-4.9.3,2 iimpi/2016.01-GCC-4.9.3-2.25,2 -iimpi/2017.00-GCC-5.4.0-2.26,2 iimpi/2017a,2 iimpi/2017b,2 iimpi/2017c,2 iimpi/2018.03,2 iimpi/2018a,2 iimpi/2019.01,2 +iimpi/2019a,2 iimpi/5.5.0-GCC-4.8.3,2 iimpi/7.3.5,2 iimpi/7.3.5-GNU-5.1.0-2.25,2 @@ -639,7 +668,6 @@ imkl/11.3.1.150-iimpi-2016.00-GCC-4.9.3,2 imkl/11.3.1.150-iimpi-2016.01-GCC-4.9.3-2.25,2 imkl/11.3.1.150-iimpi-8.1.5-GCC-4.9.3-2.25,2 imkl/11.3.1.150-iimpi-8.3.5,2 -imkl/2017.0.098-iimpi-2017.00-GCC-5.4.0-2.26,2 imkl/2017.1.132-iimpi-2017a,2 imkl/2017.1.132-iompi-2017a,2 imkl/2017.3.196-iimpi-2017b,2 @@ -649,15 +677,15 @@ imkl/2017.4.239-iompi-2017b,2 imkl/2018.1.163-iimpi-2018a,2 imkl/2018.3.222-iimpi-2018.03,2 imkl/2019.0.117-iimpi-2019.01,2 -impi/2017.0.098-iccifort-2017.0.098-GCC-5.4.0-2.26,2 +imkl/2019.1.144-iimpi-2019a,2 impi/2017.1.132-iccifort-2017.1.132-GCC-6.3.0-2.27,2 impi/2017.3.196-iccifort-2017.4.196-GCC-6.3.0-2.27,2 -impi/2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28,2 impi/2017.4.239-iccifort-2017.5.239-GCC-6.3.0-2.27,2 impi/2017.4.239-iccifort-2017.7.259-GCC-6.3.0-2.27,2 -impi/2018.1.163-iccifort-2018.1.163-GCC-6.4.0-2.28,2 +impi/2018.1.163-iccifort-2018.1.163-GCC-6.3.0-2.27,2 impi/2018.3.222-iccifort-2018.3.222-GCC-8.1.0-2.30,2 impi/2019.0.117-iccifort-2019.0.117-GCC-6.3.0-2.27,2 +impi/2019.1.144-iccifort-2019.1.144-GCC-6.3.0-2.27,2 impi/4.1.1.036-iccifort-2013.5.192-GCC-4.8.3,2 impi/5.0.3.048-iccifort-2015.3.187,2 impi/5.0.3.048-iccifort-2015.3.187-GNU-5.1.0-2.25,2 @@ -675,13 +703,13 @@ intel/2015b,2 intel/2016.00,2 intel/2016.01,2 intel/2016a,2 -intel/2017.00,2 intel/2017a,2 intel/2017b,2 intel/2017c,2 intel/2018.03,2 intel/2018a,2 intel/2019.01,2 +intel/2019a,2 intltool/0.51.0,2 iomkl/2017a,2 iomkl/2017b,2 @@ -697,6 +725,7 @@ ISL/0.14-GNU-5.1.0-2.25,2 ISL/0.15,2 ISL/0.15-GCC-4.9.3-2.25,2 ISL/0.15-GNU-4.9.3-2.25,2 +ISL/0.20,2 isort/4.2.15-Python-2.7.13-base,2 ispc/1.6.0,2 ispc/1.9.1,2 @@ -716,6 +745,7 @@ Java/1.9.0+181,2 Jinja2/2.10-Py-2.7,2 Jinja2/2.10-Py-3.6,2 JOE/4.2,2 +JuliaLang/1.0.3,2 JUnit/4.11-Java-1.7.0_79,2 kbproto/1.0.6,2 kbproto/1.0.6-foss-2015g,2 @@ -724,7 +754,6 @@ kbproto/1.0.7,2 kbproto/1.0.7-foss-2016a,2 kbproto/1.0.7-intel-2016a,2 Keras/2.0.5-Tensorflow-1.2.0-Python-3.6.1,2 -Keras/2.0.5-Tensorflow-1.3.0-intel-2017b-mkl-Python-3.6.1,2 Keras/2.0.5-Theano-1.2.0-Python-3.6.1,2 Keras/2.1.2-Tensorflow-1.2.0-Python-3.6.1,2 Keras/2.1.2-Tensorflow-1.6.0rc0-Python-3.6.1,2 @@ -732,10 +761,12 @@ Keras/2.1.4-Py-3.6-Tensorflow-1.6.0rc0,2 Keras/2.1.4-Py-3.6-Theano-1.0.1,2 Keras_Applications/1.0.6-Py-2.7,2 Keras_Preprocessing/1.0.5-Py-2.7,2 +LAME/3.100,2 LAMMPS/16Mar2018-intel-2017a,2 LAMMPS/17Jan2018-foss-2017a,2 LAMMPS/17Jan2018-intel-2017a,2 LAMMPS/17Jan2018-intel-2017a-MIC,2 +LAMMPS/20181212-intel-2017c,2 LAMMPS/22Jun2018-foss-2017a,2 LAMMPS/22Jun2018-intel-2017a,2 LAMMPS/22Sep2017-intel-2017a,2 @@ -768,7 +799,6 @@ libffi/3.1-intel-2015b,2 libffi/3.2.1,2 libffi/3.2.1-foss-2016a,2 libffi/3.2.1-foss-2017a,2 -libffi/3.2.1-intel-2017.00,2 libffi/3.2.1-intel-2017a,2 libfontenc/1.1.3,2 libfontenc/1.1.3-foss-2015g,2 @@ -803,7 +833,6 @@ libjpeg-turbo/1.4.0,2 libjpeg-turbo/1.4.0-foss-2015g,2 libjpeg-turbo/1.4.0-intel-2015b,2 libjpeg-turbo/1.4.1-foss-2015b,2 -libjpeg-turbo/1.4.2-intel-2017.00,2 libjpeg-turbo/1.5.1,2 libjpeg-turbo/1.5.3,2 libjpeg-turbo/2.0.0-GCC-6.3.0-2.27,2 @@ -829,7 +858,6 @@ libpng/1.6.16-intel-2015b,2 libpng/1.6.17-foss-2015b,2 libpng/1.6.21-foss-2016a,2 libpng/1.6.21-intel-2016a,2 -libpng/1.6.21-intel-2017.00,2 libpng/1.6.29,2 libpng/1.6.29-GCCcore-6.3.0,2 libpng/1.6.34,2 @@ -861,6 +889,7 @@ libSM/1.2.2-intel-2015b,2 libsmm/2015-11-10,2 libsndfile/1.0.28,2 libsndfile/1.0.28-intel-2017a,2 +libsodium/1.0.17,2 LIBSVM/3.22-intel-2017a,2 LibTIFF/4.0.3,2 LibTIFF/4.0.3-intel-2015b,2 @@ -873,6 +902,8 @@ libtool/2.4.2-intel-2015b,2 libtool/2.4.6,2 libtool/2.4.6-foss-2016a,2 libtool/2.4.6-GCC-6.3.0-2.27,2 +libtool/2.4.6-GCCcore-4.9.3,2 +libtool/2.4.6-GCCcore-7.3.0,2 libtool/2.4.6-intel-2017a,2 libunistring/0.9.3,2 libunistring/0.9.3-foss-2015b,2 @@ -908,6 +939,7 @@ libxc/3.0.0-GCC-6.3.0-2.27,2 libxc/3.0.0-intel-2017a,2 libxc/4.0.2-intel-2017a,2 libxc/4.1.0-intel-2017a,2 +libxc/4.2.3-intel-2017a,2 libxcb/1.10-Python-2.7.8,2 libxcb/1.11.1,2 libxcb/1.11.1-foss-2016a,2 @@ -949,6 +981,7 @@ libxml2/2.9.2-foss-2015g-Python-2.7.9,2 libxml2/2.9.2-intel-2015b,2 libxml2/2.9.3-foss-2016a,2 libxml2/2.9.4,2 +libxml2/2.9.4-Python-2.7.13,2 libxml2/2.9.8-GCC-6.3.0-2.27,2 libXrender/0.9.8,2 libXrender/0.9.8-intel-2015b,2 @@ -974,11 +1007,12 @@ LLVM/3.7.1-intel-2016a,2 LLVM/3.8.0-foss-2016a,2 LLVM/3.8.0-intel-2016a,2 LLVM/3.8.1-intel-2017a,2 -LLVM/3.9.0-intel-2017.00,2 LLVM/4.0.0-GCC-6.3.0-2.27,2 LLVM/5.0.0-GCC-6.3.0-2.27,2 LLVM/6.0.0-Py-2.7,2 +LLVM/6.0.1,2 LLVM/6.0.1-GCC-6.3.0-2.27,2 +LLVM/7.0.0,2 LMGC90/2017.rc1-GCC-6.3.0-2.27,2 Lmod/7.2.2,2 Lmod/7.7.7,2 @@ -994,9 +1028,10 @@ lxml/4.1.1-Py-3.6,2 M4/1.4.16-foss-2015g,2 M4/1.4.17,2 M4/1.4.17-foss-2016a,2 +M4/1.4.17-GCCcore-4.9.3,2 M4/1.4.18,2 M4/1.4.18-GCCcore-6.3.0,2 -M4/1.4.18-GCCcore-6.4.0,2 +M4/1.4.18-GCCcore-7.3.0,2 make/3.82,2 make/3.82-intel-2015b,2 make/4.2.1,2 @@ -1005,6 +1040,7 @@ makedepend/1.0.4-foss-2015g,2 makedepend/1.0.5-foss-2016a,2 makedepend/1.0.5-intel-2016a,2 Mako/1.0.6-Python-2.7.13,2 +Mako/1.0.6-Python-2.7.14-base,2 Mako/1.0.7-Py-2.7,2 MAP/4.2,2 MAP/5.0.1,2 @@ -1038,12 +1074,13 @@ Mesa/12.0.2-intel-2017a,2 Mesa/17.0.2-intel-2017a,2 Mesa/17.2.6-foss-2017a,2 Mesa/17.2.6-intel-2017a,2 +Mesa/18.1.3-GCC-6.3.0-2.27,2 Mesa/18.1.3-intel-2017a,2 +Mesa/18.3.1,2 METIS/5.1.0,2 METIS/5.1.0-intel-2015b,2 METIS/5.1.0-intel-2016.01,2 METIS/5.1.0-intel-2016.01-32bitIDX,2 -METIS/5.1.0-intel-2017.00,2 METIS/5.1.0-intel-2017a,2 MIKE/2014,2 MIKE/2016,2 @@ -1057,6 +1094,7 @@ mock/2.0.0-Py-2.7,2 mock/2.0.0-Py-3.6,2 Molden/5.7-intel-2017b,2 Molpro/2010.1-patch-57-intel2015b,2 +Molpro/mpp-2018.2.0.linux_x86_64_openmp,2 Mono/3.12.1-GCC-4.4.7-system,2 Mono/4.2.2.10-intel-2016.01,2 Mono/5.0.0.100,2 @@ -1070,6 +1108,7 @@ MPFR/3.1.4-intel-2017a,2 MPFR/3.1.5,2 mpi4py/2.0.0-intel-2017a-Python-2.7.13-base,2 mpi4py/3.0.0-foss-2017a-Python-2.7.13,2 +mpi4py/3.0.0-intel-2018a-Py-2.7,2 mpi4py/3.0.0-Py-2.7,2 mpi4py/3.0.0-Py-3.6,2 MPICH/3.2.1-GCC-6.3.0-2.27,2 @@ -1080,18 +1119,16 @@ MPI_NET/1.2.0-gompi-2015e,2 MPI_NET/1.2.0-intel-2016.01,2 mpmath/1.0.0-Py-3.6,2 MPT/2.12,2 +multiprocess/0.70.7-Py-2.7,2 MUMPS/5.0.2-intel-2017a-parmetis,2 MVAPICH2/2.1-GCC-4.4.7-system,2 MVAPICH2/2.1-GNU-5.1.0-2.25,2 MVAPICH2/2.1-iccifort-2015.3.187-GNU-5.1.0-2.25,2 NAMD/2.9-mpi,2 -NASM/2.11.05,2 NASM/2.11.05-foss-2015b,2 -NASM/2.11.05-foss-2015g,2 NASM/2.11.05-intel-2015b,2 NASM/2.11.06-intel-2015b,2 NASM/2.11.08-foss-2015b,2 -NASM/2.11.08-intel-2017.00,2 NASM/2.12.02,2 NASM/2.13.03,2 ncurses/5.9,2 @@ -1111,9 +1148,6 @@ ncurses/6.1,2 netCDF/4.3.2-foss-2015g,2 netCDF/4.3.2-intel-2015b,2 netCDF/4.3.2-intel-2016.01,2 -netCDF/4.3.3.1-foss-2015b,2 -netCDF/4.3.3.1-intel-2017.00,2 -netCDF/4.4.0-intel-2017.00,2 netCDF/4.4.1.1-intel-2017a,2 netCDF/4.4.1-intel-2017a,2 netCDF/4.6.1-GCC-6.3.0-2.27,2 @@ -1124,7 +1158,9 @@ netCDF-Fortran/4.4.4-iomkl-2017b,2 Netgen/6.0-beta-intel-2017a-Python-3.6.1,2 nettle/3.2-intel-2017a,2 nettle/3.3-foss-2017a,2 +nettle/3.3-GCC-6.3.0-2.27,2 nettle/3.3-intel-2017a,2 +nettle/3.4.1,2 networkx/1.11-Python-2.7.13,2 networkx/2.1-Py-3.6,2 NLopt/2.4.2,2 @@ -1135,14 +1171,13 @@ numactl/2.0.10-GNU-4.9.3-2.25,2 numactl/2.0.10-GNU-5.1.0-2.25,2 numactl/2.0.10-iccifort-2015.3.187-GNU-4.9.3-2.25,2 numactl/2.0.11,2 -numactl/2.0.11-c7,2 numactl/2.0.11-GCC-4.9.3-2.25,2 numactl/2.0.11-GCC-5.3.0-2.26,2 -numactl/2.0.11-GCC-6.3.0-2.27,2 numactl/2.0.11-GCC-7.1.0-2.28,2 -numactl/2.0.11-GCCcore-5.4.0,2 +numactl/2.0.11-GCC-7.3.0-2.30,2 +numactl/2.0.11-GCCcore-4.9.3,2 numactl/2.0.11-GCCcore-6.3.0,2 -numactl/2.0.11-PGI-18.5-GCC-6.3.0-2.27,2 +numactl/2.0.12-GCC-6.3.0-2.27,2 numpy/1.13.0-Python-2.7.13-base,2 numpy/1.13.3-Py-2.7,2 numpy/1.13.3-Py-3.6,2 @@ -1179,7 +1214,8 @@ OpenBLAS/0.2.19-GCC-5.4.0-2.26-LAPACK-3.6.0,2 OpenBLAS/0.2.19-GCC-5.4.0-2.26-LAPACK-3.7.0,2 OpenBLAS/0.2.19-GCC-6.3.0-2.27-LAPACK-3.7.0,2 OpenBLAS/0.2.20-GCC-6.3.0-2.27,2 -OpenBLAS/0.2.20-GCC-6.4.0-2.28,2 +OpenBLAS/0.2.20-GCC-8.1.0-2.30,2 +OpenBLAS/0.2.20-gompi-2019.02,2 OpenCL-builder/2015,2 OpenCL-runtime/15.1,2 OpenCL-runtime/16.1.2,2 @@ -1199,8 +1235,8 @@ OpenFOAM/3.0.0-intel-2016.01,2 OpenFOAM/4.1-intel-2017a,2 OpenFOAM/5.0-intel-2017a,2 OpenJPEG/2.3.0,2 -OpenMPI/1.10.2-GCC-4.9.3-2.25,2 OpenMPI/1.10.2-GCC-5.3.0-2.26,2 +OpenMPI/1.10.7-GCC-4.9.3-2.25,2 OpenMPI/1.10.7-GCC-6.3.0-2.27,2 OpenMPI/1.10.7-GCC-6.3.0-2.27-noPBS,2 OpenMPI/1.10.7-GCC-7.1.0-2.28,2 @@ -1210,11 +1246,14 @@ OpenMPI/1.8.8-GNU-4.9.3-2.25,2 OpenMPI/1.8.8-GNU-5.1.0-2.25,2 OpenMPI/1.8.8-iccifort-2015.3.187-GNU-4.9.3-2.25,2 OpenMPI/2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26,2 +OpenMPI/2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27,2 OpenMPI/2.0.2-GCC-6.3.0-2.27,2 OpenMPI/2.1.0-GCC-6.3.0-2.27,2 -OpenMPI/2.1.1-c7,2 OpenMPI/2.1.1-GCC-6.3.0-2.27,2 +OpenMPI/2.1.1-GCC-7.3.0-2.30,2 OpenMPI/3.0.0-GCC-6.3.0-2.27,2 +OpenMPI/4.0.0-GCC-6.3.0-2.27,2 +OpenPGM/5.2.122-intel-2017c,2 OpenSSL/1.0.2n-intel-2017b,2 OpenSSL/1.1.0e-intel-2017b,2 ORCA/4.0.1.2,2 @@ -1230,6 +1269,7 @@ p4vasp/0.3.30,2 packaging/17.1-Py-3.6,2 palettable/3.1.0-Py-3.6,2 pandas/0.22.0-Py-3.6,2 +pandas/0.23.4-Py-2.7,2 Pango/1.39.0,2 Pango/1.40.5,2 Pango/1.40.5-intel-2017a,2 @@ -1252,17 +1292,16 @@ ParaView/5.4.0-intel-2017a-mpi-OSPRay-OpenGL2,2 ParaView/5.4.0-intel-2017a-mpi-OSPRay-TEST,2 ParaView/5.4.1-intel-2017a-mpi,2 ParaView/5.5.2-intel-2017a-mpi-OSPRay,2 +ParaView/5.6.0-intel-2017a-mpi,2 ParMETIS/4.0.3-intel-2015b,2 ParMETIS/4.0.3-intel-2016.01,2 ParMETIS/4.0.3-intel-2017a,2 PatchELF/0.9,2 pbr/5.1.1-Py-2.7,2 -PCRE2/10.22-intel-2017.00,2 PCRE/8.36-intel-2015b,2 PCRE/8.36-intel-2016.01,2 PCRE/8.37,2 PCRE/8.37-foss-2015g,2 -PCRE/8.39-intel-2017.00,2 PCRE/8.40,2 PCRE/8.42,2 PCRE/8.42-GCC-6.3.0-2.27,2 @@ -1281,6 +1320,7 @@ Perl/5.20.2-bare,2 Perl/5.26.1-foss-2017a,2 Perl/5.26.1-intel-2017a,2 Perl/5.26.1-intel-2017b,2 +Perl/5.26.2-GCC-6.3.0-2.27,2 PETSc/3.6.1-intel-2015b-Python-2.7.9,2 PETSc/3.6.1-intel-2016.01-Python-2.7.9,2 PETSc/3.6.3-intel-2015b-Python-2.7.11,2 @@ -1306,6 +1346,7 @@ phonopy/1.12.6.66-Py-2.7,2 phonopy/1.12.6.66-Py-3.6,2 phonopy/1.13.2-Py-2.7,2 phonopy/1.13.2-Py-3.6,2 +phonopy/1.14.2-Py-3.6,2 PHREEQC/3.3.12-12704-intel-2017b,2 picard/1.119,2 picard/2.1.0,2 @@ -1326,8 +1367,10 @@ pkg-config/0.29.1-foss-2017a,2 pkg-config/0.29.1-intel-2016a,2 pkg-config/0.29,2 pkg-config/0.29.2,2 +pkg-config/0.29.2-GCCcore-6.3.0,2 pkg-config/0.29-foss-2016a,2 pkg-config/0.29-intel-2016a,2 +pkgconfig/1.3.1-intel-2018a-Py-2.7,2 Platypus/20170509-Py-2.7,2 pluggy/0.6.0-Py-2.7,2 pluggy/0.6.0-Py-3.6,2 @@ -1340,6 +1383,7 @@ PLUMED/2.3b-foss-2016a,2 PLUMED/2.4.1-intel-2017c,2 PLUMED/2.4.2-intel-2017c,2 PLUTO/4.2-intel-2017b-Python-2.7.14,2 +pmx/20190115-Py-2.7,2 PostgreSQL/9.6.9-Py-2.7,2 PRACE/20150630-intel-2015b,2 prace/20160107-intel-2016.01,2 @@ -1347,7 +1391,6 @@ PragTic/0.1-GCC-5.3.0-2.25,2 PROJ_4/4.9.2,2 PROJ_4/4.9.2-foss-2015g,2 PROJ/4.8.0-foss-2015b,2 -PROJ/4.9.2-intel-2017.00,2 PROJ/4.9.3-foss-2017a,2 PROJ/4.9.3-intel-2017a,2 protobuf/2.5.0,2 @@ -1355,14 +1398,12 @@ protobuf/3.2.0-GCC-7.1.0-2.28-Python-3.6.1,2 protobuf/3.2.0-Python-3.6.1,2 protobuf/3.3.0-foss-2017a,2 protobuf/3.3.0-GCC-4.9.3-2.25,2 -protobuf/3.4.0-GCC-6.4.0-2.28-Python-3.6.1,2 protobuf/3.4.0-GCC-7.1.0-2.28-Python-3.6.1,2 protobuf/3.4.0-Py-3.6,2 protobuf/3.5.1-Py-3.6,2 protobuf/3.6.1-Py-2.7,2 protobuf/3.6.1-Py-3.6,2 protobuf-python/3.2.0-GCC-7.1.0-2.28-Python-3.6.1,2 -protobuf-python/3.4.0-GCC-6.4.0-2.28-Python-3.6.1,2 protobuf-python/3.4.0-Py-3.6,2 protobuf-python/3.5.1-Py-3.6,2 protobuf-python/3.6.1-Py-2.7,2 @@ -1386,11 +1427,12 @@ PyGObject/2.28.6-Python-2.7.13-base,2 PyGTK/2.24.0-Python-2.7.13-base,2 pylint/1.7.2-Python-2.7.13-base,2 pymatgen/2018.1.29-Py-3.6,2 +pymbar/3.0.3-Py-2.7,2 PyNaCl/1.2.1-Py-2.7,2 pyparsing/2.2.0-Py-2.7,2 pyparsing/2.2.0-Py-3.6,2 PyQt/4.12-Py-3.6,2 -PyQt5/5.10-Py-3.6,2 +PyQt5/5.11.3-Py-3.6,2 pyspark/2.3.0-Py-3.6,2 pytest/3.3.2-Py-2.7,2 pytest/3.3.2-Py-3.6,2 @@ -1401,6 +1443,7 @@ Python/2.7.13-base,2 Python/2.7.14-base,2 Python/2.7.14-GCC-6.3.0-2.27-base,2 Python/2.7.15-base,2 +Python/2.7.15-gompi-2019.02,2 Python/2.7.8-intel-2015b,2 Python/2.7.9,2 Python/2.7.9-foss-2015g,2 @@ -1414,10 +1457,12 @@ Python/3.6.1,2 Python/3.6.2-base,2 Python/3.6.4-base,2 Python/3.6.4-GCC-6.3.0-2.27-base,2 +Python/3.6.8-base,2 python-dateutil/2.6.1-Py-2.7,2 python-dateutil/2.6.1-Py-3.6,2 python-meep/1.4.2-intel-2015b-Python-2.7.9-Meep-1.3,2 pytz/2017.3-Py-3.6,2 +pytz/2018.9-Py-2.7,2 PyWavelets/0.5.2-Py-3.6,2 PyYAML/3.11-intel-2015b-Python-2.7.9,2 PyYAML/3.12-Py-2.7,2 @@ -1429,23 +1474,26 @@ QBOX/r140b-foss-2016a,2 QCA/2.1.0-foss-2015g,2 QEMU/2.10.0-GCC-4.4.7-system,2 QEMU/2.10.0-GCC-4.4.7-system-VDE2,2 +QEMU/2.10.0-VDE2,2 QEMU/2.1.2-GCC-4.4.7-system,2 QEMU/2.1.2-GCC-4.4.7-system-VDE2,2 QEMU/2.9.0-GCC-4.4.7-system,2 QEMU/2.9.0-GCC-4.4.7-system-VDE2,2 +QEMU/3.1.0-VDE2,2 Qhull/2015.2,2 +QMCPACK/3.6.0-intel-2018a,2 qrupdate/1.1.2-intel-2017a,2 Qt/4.8.6,2 Qt/4.8.6-foss-2015g,2 Qt/4.8.7,2 +Qt5/5.11.1,2 Qt5/5.11.1-GCC-6.3.0-2.27,2 Qt5/5.8.0-GCC-6.3.0-2.27,2 Qt5/5.8.0-intel-2017a,2 QuantumESPRESSO/5.4.0-foss-2015g,2 QuantumESPRESSO/5.4.0-foss-2017a,2 -QuantumESPRESSO/5.4.0-intel-2017.00,2 QuantumESPRESSO/6.0-intel-2017a,2 -QuantumESPRESSO/6.1-intel-2017a,2 +QuantumESPRESSO/6.3-intel-2017a,2 Qwt/6.1.2-foss-2015g,2 R/3.1.1-intel-2015b,2 R/3.2.3-intel-2016.01,2 @@ -1468,6 +1516,7 @@ Ruby/2.1.5-intel-2015b,2 Ruby/2.3.1,2 Ruby/2.3.3,2 Ruby/2.4.2,2 +Rust/1.32.0,2 S4MPLE/1.0.0,2 SAMtools/1.3-foss-2015g,2 SAMtools/1.6-intel-2017a,2 @@ -1487,13 +1536,14 @@ ScientificPython/2.9.4-intel-2015b-Python-2.7.11,2 ScientificPython/2.9.4-intel-2015b-Python-2.7.9,2 ScientificPython/2.9.4-intel-2016.01-Python-2.7.9,2 scikit-image/0.12.3-Python-2.7.13,2 -scikit-image/0.13.1-Py-3.6,2 +scikit-image/0.14.1-Py-3.6,2 scikit-learn/0.18.2-Python-3.6.1,2 -scikit-learn/0.19.1-Py-3.6,2 +scikit-learn/0.20.1-Py-3.6,2 Scipion/1.0.1-Java-1.8.0_112-OpenMPI-1.10.2-GCC-5.3.0-2.26,2 scipy/0.19.1-Python-2.7.13-base,2 scipy/1.0.0-Py-2.7,2 scipy/1.0.0-Py-3.6,2 +scipy/1.2.0-Py-3.6,2 SCons/2.3.6-foss-2015g-Python-2.7.9,2 SCons/2.3.6-Py-2.7,2 SCons/2.3.6-Python-2.7.9,2 @@ -1504,9 +1554,8 @@ SCons/3.0.0,2 SCons/3.0.0-intel-2017a-Python-2.7.13,2 SCons/3.0.1-Py-2.7,2 scoop/0.7.1.1-Py-2.7,2 -Score-P/3.0-intel-2015b,2 -Score-P/3.1-intel-2017a,2 Score-P/4.1-GCC-6.3.0-2.27-MPICH,2 +Score-P/4.1-intel-2018a,2 SCOTCH/5.1.12b_esmumps-foss-2015b,2 SCOTCH/6.0.0_esmumps-intel-2015b,2 SCOTCH/6.0.3-intel-2015b,2 @@ -1538,6 +1587,7 @@ SIONlib/1.6.1-intel-2015b-tools,2 SIONlib/1.6.1-tools,2 SIONlib/1.7.1-foss-2017a,2 SIP/4.19.6-Py-3.6,2 +SIP/4.19.8-Py-3.6,2 six/1.11.0-Py-2.7,2 six/1.11.0-Py-3.6,2 SLEPc/3.7.4-intel-2017a,2 @@ -1548,8 +1598,8 @@ Spark/1.5.2,2 Spark/2.1.0,2 Spark/2.3.0,2 sparsehash/2.0.3-foss-2018a,2 -sparsehash/2.0.3-GCCcore-6.4.0,2 spatialindex/1.8.5-foss-2015g,2 +SpatiaLite/4.3.0a,2 spglib-python/1.10.2.4-Py-3.6,2 SQLite/3.13.0,2 SQLite/3.13.0-intel-2017a,2 @@ -1566,8 +1616,7 @@ SQLite/3.8.8.1-ictce-7.3.5,2 SQLite/3.8.8.1-intel-2015b,2 SQLite/3.8.8.1-intel-2016.01,2 SQLite/3.9.2-intel-2015b,2 -sqsgenerator/20180226-Py-3.6,2 -sqsgenerator/20180823-Py-3.6,2 +sqsgenerator/20190102-Py-3.6,2 squashfs-tools/4.3,2 Subversion/1.8.16-foss-2015g,2 Subversion/1.9.3,2 @@ -1575,7 +1624,6 @@ SuiteSparse/4.4.3-intel-2015b-ParMETIS-4.0.3,2 SuiteSparse/4.4.3-intel-2016.01-ParMETIS-4.0.3,2 SuiteSparse/4.4.5-intel-2015b-METIS-5.1.0,2 SuiteSparse/4.4.6-intel-2015b-ParMETIS-4.0.3,2 -SuiteSparse/4.5.3-intel-2017.00-METIS-5.1.0,2 SuiteSparse/4.5.3-intel-2017a-ParMETIS-4.0.3,2 SuiteSparse/4.5.5-intel-2017a-METIS-5.1.0,2 SUMO/0.25.0-foss-2015g,2 @@ -1593,17 +1641,16 @@ sympy/0.7.6-intel-2016.01-Python-2.7.9,2 sympy/1.1.1-Py-3.6,2 Szip/2.1.1-GCC-6.3.0-2.27,2 Szip/2.1,2 -Szip/2.1-foss-2015b,2 Szip/2.1-foss-2015g,2 Szip/2.1-foss-2016a,2 Szip/2.1-ictce-7.3.5,2 Szip/2.1-intel-2015b,2 Szip/2.1-intel-2016.01,2 -Szip/2.1-intel-2017.00,2 Szip/2.1-intel-2017a,2 tabulate/0.8.2-Py-3.6,2 Tar/1.29,2 tbb/2017.6.196,2 +tbb/2018_U5-intel-2017c,2 tbb/4.3.5.187,2 tbb/4.4.2.152,2 Tcl/8.5.12-intel-2015b,2 @@ -1615,6 +1662,7 @@ Tcl/8.6.3-intel-2015b,2 Tcl/8.6.3-intel-2016.01,2 Tcl/8.6.4-foss-2015b,2 Tcl/8.6.4-intel-2015b,2 +Tcl/8.6.5,2 Tcl/8.6.5-intel-2017a,2 Tcl/8.6.6,2 Tcl/8.6.6-GCCcore-6.3.0,2 @@ -1625,9 +1673,7 @@ Tensorflow/1.1.0,2 Tensorflow/1.12.0-GCC-6.3.0-2.27-Py-2.7,2 Tensorflow/1.12.0-GCC-6.3.0-2.27-Python-3.6.1,2 Tensorflow/1.2.0-GCC-7.1.0-2.28,2 -Tensorflow/1.2.0-intel-2017b-mkl,2 Tensorflow/1.3.0,2 -Tensorflow/1.3.0-intel-2017b-mkl,2 Tensorflow/1.6.0rc0,2 Tensorflow/1.6.0rc0-Py-3.6,2 tensorflow-tensorboard/1.5.1-Py-3.6,2 @@ -1641,7 +1687,6 @@ Tk/8.6.4-foss-2015b-no-X11,2 Tk/8.6.4-intel-2015b-no-X11,2 Tk/8.6.5-intel-2017a,2 Tk/8.6.6,2 -tmux/2.3,2 Togl/1.7-intel-2017a,2 toolz/0.9.0-Py-3.6,2 tornado/4.5.3-Py-2.7,2 @@ -1651,7 +1696,8 @@ TotalView/8.15.4-6-linux-x86-64,2 Trilinos/12.10.1-intel-2017a-Python-2.7.11,2 Trilinos/12.10.1-intel-2017a-Python-2.7.11-test,2 Trimmomatic/0.35-Java-1.7.0_79,2 -TRIQS/1.4.1-foss-2017a,2 +TRIQS/1.4.1-gompi-2019.02,2 +TRIQS/2.0-gompi-2019.02,2 turbovnc/1.2.3,2 Ubuntu/16.04,2 Ubuntu/16.04-OpenFOAM,2 @@ -1660,6 +1706,7 @@ util-linux/2.26.1,2 util-linux/2.26.1-foss-2015g,2 util-linux/2.29.2,2 util-linux/2.32,2 +util-linux/2.33.1,2 Valgrind/3.11.0-foss-2015b,2 Valgrind/3.11.0-intel-2015b,2 Valgrind/3.13.0-intel-2017b,2 @@ -1668,18 +1715,19 @@ Vampir/9.0.0,2 VampirServer/8.5.0-intel-2015b,2 VampirServer/9.0.0-intel-2015b,2 VASP/5.4.1-intel-2015b-24Jun15,2 -VASP/5.4.4-intel-2017a-mkl=cluster,2 -VASP/5.4.4-intel-2017a-mkl=paralel,2 -VASP/5.4.4-intel-2017a-mkl=sequential,2 -VASP/5.4.4-intel-2017b-mkl=cluster,2 +VASP/5.4.4-intel-2017c-mkl=cluster,2 +VASP/5.4.4-intel-2017c-mkl=cluster-VTST,2 +VASP/5.4.4-intel-2017c-mkl=paralel,2 +VASP/5.4.4-intel-2017c-mkl=sequential,2 +VDE2/2.3.2,2 VDE2/2.3.2-GCC-4.4.7-system,2 virtualenv/15.1.0-Py-2.7,2 VirtualGL/2.4.1,2 VisIt/2.10.0,2 VTK/6.3.0-intel-2017a-Python-2.7.13,2 VTK/7.1.1-intel-2017a-Python-2.7.13,2 -VTune/2017_update5,2 VTune/2018_update3,2 +VTune/2019_update2,2 webencodings/0.5.1-Py-3.6,2 Werkzeug/0.14.1-Py-3.6,2 wheel/0.30.0-Py-3.6,2 @@ -1687,7 +1735,9 @@ Wine/1.7.29-GCC-4.4.7-system,2 Wine/1.7.29-GNU-5.1.0-2.25,2 X11/20160819,2 X11/20170314,2 -x264/20160430-intel-2017a,2 +X11/20180604,2 +x264/20181203,2 +x265/2.9,2 x86_adapt/github,2 xbitmaps/1.1.1-foss-2015g,2 xbitmaps/1.1.1-intel-2015b,2 @@ -1706,7 +1756,7 @@ xextproto/7.3.0-intel-2016a,2 xineramaproto/1.2.1,2 xineramaproto/1.2.1-intel-2015b,2 XKeyboardConfig/2.21,2 -XML-Parser/2.44,2 +XML-Parser/2.41,2 xorg-macros/1.17,2 xorg-macros/1.17-foss-2015g,2 xorg-macros/1.19.0-foss-2016a,2 @@ -1728,7 +1778,8 @@ Xvfb/1.17.4,2 XZ/5.2.2,2 XZ/5.2.2-foss-2016a,2 XZ/5.2.3,2 -Yasm/1.3.0-intel-2017a,2 +Yasm/1.3.0,2 +ZeroMQ/4.3.1-intel-2017c,2 zlib/1.2.11,2 zlib/1.2.11-foss-2017a,2 zlib/1.2.11-GCCcore-6.3.0,2 @@ -1744,5 +1795,4 @@ zlib/1.2.8-gompi-2015e,2 zlib/1.2.8-ictce-7.3.5,2 zlib/1.2.8-intel-2015b,2 zlib/1.2.8-intel-2016.01,2 -zlib/1.2.8-intel-2017.00,2 zsh/5.2-foss-2018a,2 diff --git a/salomon.md b/salomon.md index 9dd730e0..d000ff5f 100644 --- a/salomon.md +++ b/salomon.md @@ -54,7 +54,7 @@ | [ORCA](http://cec.mpg.de/forum/) | ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- and multireference correlated ab initio methods. It can also treat environmental and relativistic effects. | | [PLUMED](http://www.plumed-code.org) | PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes. | | [pWord2Vec](https://github.com/IntelLabs/pWord2Vec) | This tool provides an efficient implementation of the continuous bag-of-words and skip-gram architectures for computing vector representations of words. These representations can be subsequently used in many natural language processing applications and for further research. | -| [QuantumESPRESSO](http://www.pwscf.org/) | Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft). | +| QuantumESPRESSO | Old module, description not available. | | [S4MPLE](http://infochim.u-strasbg.fr/spip.php?rubrique152) | S4MPLE (Sampler For Multiple Protein-Ligand Entities) is a flexible molecular modeling tool, supporting empirical force field-driven conformational sampling and geometry optimization heuristics using a hybrid genetic algorithm (GA). | | [Scipion](https://github.com/I2PC/scipion/wiki) | Scipion is an image processing framework for obtaining 3D models of macromolecular complexes using Electron Microscopy (3DEM). It integrates several software packages and presents a unified interface for both biologists and developers. Scipion allows you to execute workflows combining different software tools, while taking care of formats and conversions. Additionally, all steps are tracked and can be reproduced later on. | | [xdrfile](http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library) | XTC library | @@ -82,6 +82,7 @@ | [GDAL](http://www.gdal.org/) | GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for data translation and processing. | | [h5py](http://www.h5py.org/) | HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library, version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous amounts of data. | | [HDF5](http://www.hdfgroup.org/HDF5/) | HDF5 is a unique technology suite that makes possible the management of extremely large and complex data collections. | +| [LAME](http://lame.sourceforge.net/) | LAME is a high quality MPEG Audio Layer III (MP3) encoder licensed under the LGPL. | | [netCDF](http://www.unidata.ucar.edu/software/netcdf/) | NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. | | [netCDF-Fortran](http://www.unidata.ucar.edu/software/netcdf/) | NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. | | [PostgreSQL](http://www.mysql.com/) | PostgreSQL is a powerful, open source object-relational database system. It is fully ACID compliant, has full support for foreign keys, joins, views, triggers, and stored procedures (in multiple languages). It includes most SQL:2008 data types, including INTEGER, NUMERIC, BOOLEAN, CHAR, VARCHAR, DATE, INTERVAL, and TIMESTAMP. It also supports storage of binary large objects, including pictures, sounds, or video. It has native programming interfaces for C/C++, Java, .Net, Perl, Python, Ruby, Tcl, ODBC, among others, and exceptional documentation. | @@ -129,8 +130,8 @@ | [Maven](http://maven.apache.org/index.html) | Binary maven install, Apache Maven is a software project management and comprehension tool. Based on the concept of a project object model (POM), Maven can manage a project's build, reporting and documentation from a central piece of information. | | [ncurses](http://www.gnu.org/software/ncurses/) | The Ncurses (new curses) library is a free software emulation of curses in System V Release 4.0, and more. It uses Terminfo format, supports pads and color and multiple highlights and forms characters and function-key mapping, and has all the other SYSV-curses enhancements over BSD Curses. | | [PCRE](http://www.pcre.org/) | The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5. | -| [PCRE2](http://www.pcre.org/) | The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5. | | [pkg-config](http://www.freedesktop.org/wiki/Software/pkg-config/) | pkg-config is a helper tool used when compiling applications and libraries. It helps you insert the correct compiler options on the command line so an application can use gcc -o test test.c `pkg-config --libs --cflags glib-2.0` for instance, rather than hard-coding values on where to find glib (or other libraries). | +| [pkgconfig](http://github.com/matze/pkgconfig) | pkgconfig is a Python module to interface with the pkg-config command line tool | | [protobuf](http://python.org/) | Python is a programming language that lets you work more quickly and integrate your systems more effectively. | | [protobuf-python](https://github.com/google/protobuf/) | Python Protocol Buffers runtime library. | | [python-meep](https://code.launchpad.net/python-meep) | Python wrapper for the Meep FDTD solver. | @@ -152,6 +153,7 @@ | [xorg-macros](http://cgit.freedesktop.org/xorg/util/macros) | X.org macros utilities. | | [xproto](http://www.freedesktop.org/wiki/Software/xlibs) | X protocol and ancillary headers | | [xtrans](http://www.freedesktop.org/wiki/Software/xlibs) | xtrans includes a number of routines to make X implementations transport-independent; at time of writing, it includes support for UNIX sockets, IPv4, IPv6, and DECnet. | +| [ZeroMQ](http://www.zeromq.org/) | ZeroMQ looks like an embeddable networking library but acts like a concurrency framework. It gives you sockets that carry atomic messages across various transports like in-process, inter-process, TCP, and multicast. You can connect sockets N-to-N with patterns like fanout, pub-sub, task distribution, and request-reply. It's fast enough to be the fabric for clustered products. Its asynchronous I/O model gives you scalable multicore applications, built as asynchronous message-processing tasks. It has a score of language APIs and runs on most operating systems. | ## Geo @@ -177,6 +179,7 @@ | [flex](http://flex.sourceforge.net/) | Flex (Fast Lexical Analyzer) is a tool for generating scanners. A scanner, sometimes called a tokenizer, is a program which recognizes lexical patterns in text. | | [FriBidi](https://github.com/fribidi/fribidi) | The Free Implementation of the Unicode Bidirectional Algorithm. | | [Java](http://java.com/) | Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers. | +| [JuliaLang](http://julialang.org) | Julia is a high-level, high-performance dynamic programming language for technical computing, with syntax that is familiar to users of other technical computing environments. It provides a sophisticated compiler, distributed parallel execution, numerical accuracy, and an extensive mathematical function library. Julia’s Base library, largely written in Julia itself, also integrates mature, best-of-breed open source C and Fortran libraries for linear algebra, random number generation , signal processing, and string processing. In addition, the Julia developer community is contributing a number of external packages through Julia’s built-in package manager at a rapid pace. IJulia, a collaboration between the Jupyter and Julia communities, provides a powerful browser-based graphical notebook interface to Julia. | | [libgdiplus](https://github.com/mono/libgdiplus) | An Open Source implementation of the GDI+ API. | | [Lua](http://www.lua.org/) | Lua is a powerful, fast, lightweight, embeddable scripting language. Lua combines simple procedural syntax with powerful data description constructs based on associative arrays and extensible semantics. Lua is dynamically typed, runs by interpreting bytecode for a register-based virtual machine, and has automatic memory management with incremental garbage collection, making it ideal for configuration, scripting, and rapid prototyping. | | [Mono](http://www.mono-project.com) | Mono is an open source implementation of Microsoft's .NET Framework based on the ECMA standards for C# and the Common Language Runtime. | @@ -191,6 +194,7 @@ | [Racket](http://racket-lang.org) | Racket is a full-spectrum programming language. It goes beyond Lisp and Scheme with dialects that support objects, types, laziness, and more. | | [RapidJSON](http://rapidjson.org/) | A fast JSON parser/generator for C++ with both SAX/DOM style API Tencent is pleased to support the open source community by making RapidJSON available. Copyright (C) 2015 THL A29 Limited, a Tencent company, and Milo Yip. All rights reserved. | | [Ruby](https://www.ruby-lang.org) | Ruby is a dynamic, open source programming language with a focus on simplicity and productivity. It has an elegant syntax that is natural to read and easy to write. | +| [Rust](https://www.rust-lang.org) | Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety. | | [SnuCL](http://snucl.snu.ac.kr) | An OpenCL Framework for Heterogeneous Clusters | | [sqsgenerator](https://github.com/dnoeger/sqsgenerator) | This package is a Special Quasirandom Structure generator written in Python3/Cython. Please note that the programm currently only works with Python 3. | | [Tcl](http://www.tcl.tk/) | Tcl (Tool Command Language) is a very powerful but easy to learn dynamic programming language, suitable for a very wide range of uses, including web and desktop applications, networking, administration, testing and many more. | @@ -229,6 +233,7 @@ | [libreadline](http://cnswww.cns.cwru.edu/php/chet/readline/rltop.html) | The GNU Readline library provides a set of functions for use by applications that allow users to edit command lines as they are typed in. Both Emacs and vi editing modes are available. The Readline library includes additional functions to maintain a list of previously-entered command lines, to recall and perhaps reedit those lines, and perform csh-like history expansion on previous commands. | | [librsync](http://git-scm.com/) | librsync is a library for calculating and applying network deltas, with an interface designed to ease integration into diverse network applications. | | [libsndfile](http://www.mega-nerd.com/libsndfile) | Libsndfile is a C library for reading and writing files containing sampled sound (such as MS Windows WAV and the Apple/SGI AIFF format) through one standard library interface. | +| [libsodium](http://doc.libsodium.org/) | Sodium is a modern, easy-to-use software library for encryption, decryption, signatures, password hashing and more. | | [LIBSVM](http://www.csie.ntu.edu.tw/~cjlin/libsvm/) | LIBSVM is an integrated software for support vector classification, (C-SVC, nu-SVC), regression (epsilon-SVR, nu-SVR) and distribution estimation (one-class SVM). It supports multi-class classification. | | [LibTIFF](http://www.remotesensing.org/libtiff/) | tiff: Library and tools for reading and writing TIFF data files | | [libtool](http://www.gnu.org/software/libtool) | GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface. | @@ -243,7 +248,7 @@ | [libzip](https://nih.at/libzip/) | libzip is a C library for reading, creating, and modifying zip archives. Files can be added from data buffers, files, or compressed data copied directly from other zip archives. Changes made without closing the archive can be reverted. The API is documented by man pages. | | [lxml](http://lxml.de/) | The lxml XML toolkit is a Pythonic binding for the C libraries libxml2 and libxslt. | | [MATIO](http://sourceforge.net/projects/matio/) | matio is an C library for reading and writing Matlab MAT files. | -| [mpi4py](http://mpi4py.scipy.org/docs) | MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors. | +| mpi4py | Old module, description not available. | | [nettle](http://www.lysator.liu.se/~nisse/nettle/) | Nettle is a cryptographic library that is designed to fit easily in more or less any context: In crypto toolkits for object-oriented languages (C++, Python, Pike, ...), in applications like LSH or GNUPG, or even in kernel space. | | [OpenCoarrays](http://www.opencoarrays.org) | OpenCoarrays is an open-source software project for developing, porting and tuning transport layers that support coarray Fortran compilers. | | [PROJ](http://trac.osgeo.org/proj/) | Program proj is a standard Unix filter function which converts geographic longitude and latitude coordinates into cartesian coordinates | @@ -255,6 +260,7 @@ | [scipy](https://github.com/jupyter/testpath) | Test utilities for code working with files and commands | | [SIONlib](http://www.fz-juelich.de/ias/jsc/EN/Expertise/Support/Software/SIONlib/_node.html) | SIONlib is a scalable I/O library for parallel access to task-local files. The library not only supports writing and reading binary data to or from several thousands of processors into a single or a small number of physical files, but also provides global open and close functions to access SIONlib files in parallel. This package provides a stripped-down installation of SIONlib for use with performance tools (e.g., Score-P), with renamed symbols to avoid conflicts when an application using SIONlib itself is linked against a tool requiring a different SIONlib version. | | [spatialindex](https://libspatialindex.github.io/index.html) | The purpose of this library is to provide: * An extensible framework that will support robust spatial indexing methods. * Support for sophisticated spatial queries. Range, point location, nearest neighbor and k-nearest neighbor as well as parametric queries (defined by spatial constraints) should be easy to deploy and run. * Easy to use interfaces for inserting, deleting and updating information. | +| [SpatiaLite](https://www.gaia-gis.it/fossil/libspatialite/index) | SpatiaLite is an open source library intended to extend the SQLite core to support fully fledged Spatial SQL capabilities. | | [tbb](http://software.intel.com/en-us/articles/intel-tbb/) | Intel Threading Building Blocks 4.0 (Intel TBB) is a widely used, award-winning C++ template library for creating reliable, portable, and scalable parallel applications. Use Intel TBB for a simple and rapid way of developing robust task-based parallel applications that scale to available processor cores, are compatible with multiple environments, and are easier to maintain. Intel TBB is the most proficient way to implement future-proof parallel applications that tap into the power and performance of multicore and manycore hardware platforms. | | [Tensorflow](https://www.tensorflow.org/) | An open-source software library for Machine Intelligence | | [TRIQS](https://triqs.ipht.cnrs.fr) | TRIQS (Toolbox for Research on Interacting Quantum Systems) is a scientific project providing a set of C++ and Python libraries to develop new tools for the study of interacting quantum systems. | @@ -265,6 +271,7 @@ | Module | Description | | ------ | ----------- | | [Eigen](http://eigen.tuxfamily.org/index.php?title=Main_Page) | Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms. | +| [ELPA](http://elpa.mpcdf.mpg.de) | Eigenvalue SoLvers for Petaflop-Applications . | | [FIAT](https://bitbucket.org/fenics-project/fiat) | The FInite element Automatic Tabulator FIAT supports generation of arbitrary order instances of the Lagrange elements on lines, triangles, and tetrahedra. It is also capable of generating arbitrary order instances of Jacobi-type quadrature rules on the same element shapes. | | [GEOS](http://trac.osgeo.org/geos) | GEOS (Geometry Engine - Open Source) is a C++ port of the Java Topology Suite (JTS) | | [GMP](http://gmplib.org/) | GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers. | @@ -336,6 +343,7 @@ | ------ | ----------- | | [CentOS](https://www.centos.org/) | The CentOS Project is a community-driven free software effort focused on delivering a robust open source ecosystem. For users, we offer a consistent manageable platform that suits a wide variety of deployments. For open source communities, we offer a solid, predictable base to build upon, along with extensive resources to build, test, release, and maintain their code. We’re also expanding the availability of CentOS images across a number of vendors, providing official images for Amazon, Google, and more. For self-hosted cloud, we also provide a generic cloud-init enabled image. For more information about updates and improvements in CentOS 7, please check out the release notes or the release announcement in the mailing list archive. | | [Debian](https://www.debian.org/) | Debian is a Unix-like operating system composed entirely of free software packaged by a team of volunteers. The Debian Project was started by Ian Murdock on August 16, 1993, Debian 0.01 was released on September 15, 1993, and the first stable version, 1.1, was released on June 17, 1996. The Debian stable branch is the most popular edition for personal computers and network servers, and is used as a base for many other distributions. The project's work is carried out over the Internet, guided by the Debian Project Leader and three foundational documents: the Debian Social Contract, the Debian Constitution, and the Debian Free Software Guidelines. New distributions are updated continually, and the next candidate is released after a time-based freeze. One of the earliest operating systems based on the Linux kernel, Debian has been developed openly and distributed freely in the spirit of the GNU Project. This decision drew the support of the Free Software Foundation, which sponsored the project for one year from November 1994 to November 1995. When the sponsorship ended, the Debian Project formed Software in the Public Interest to continue supporting development. While all Debian releases are based on the GNU userland and GNU C Library (glibc), kernels other than Linux are also available, including FreeBSD and the GNU Hurd microkernel. | +| [Fedora](https://fedoraproject.org) | The Fedora Project is a global partnership of free software community members. The Fedora Project is sponsored by Red Hat, which invests in our infrastructure and resources to encourage collaboration and incubate innovative new technologies. Some of these technologies may later be integrated into Red Hat products. They are developed in Fedora and produced under a free and open source license from inception, so other free software communities and projects are free to study, adopt, and modify them. Read an overview to learn more about our mission, our community, our governance, and what makes Fedora unique. You can also learn about our vision and core values — the foundations upon which the project is built. We also have information relating to our user base, and the objectives for our technical work. | | [Singularity-wrappers](https://docs.it4i.cz) | Wrappers for Singularity containers (mailto:easybuild@vsb.cz). | | [Ubuntu](https://www.ubuntu.com/) | Ubuntu is a Debian-based Linux operating system for personal computers, tablets and smartphones, where Ubuntu Touch edition is used. It also runs network servers. That is usually with the Ubuntu Server edition, either on physical or virtual servers (such as on mainframes) or with containers, that is with enterprise-class features. It runs on the most popular architectures, including server-class ARM-based. Ubuntu is published by Canonical Ltd, who offer commercial support. It is based on free software and named after the Southern African philosophy of ubuntu (literally, 'human-ness'), which Canonical Ltd. suggests can be loosely translated as "humanity to others" or "I am what I am because of who we all are". Since Ubuntu 11.04 Natty Narwhal Ubuntu has used Unity as its default user interface for the desktop, but following the release of Ubuntu 17.10 it will move to the GNOME 3 desktop instead, as work on Unity ends. Ubuntu is the most popular operating system running in hosted environments, so–called "clouds", as it is the most popular server Linux distribution. Development of Ubuntu is led by UK-based Canonical Ltd., a company of South African entrepreneur Mark Shuttleworth. Canonical generates revenue through the sale of technical support and other services related to Ubuntu. The Ubuntu project is publicly committed to the principles of open-source software development; people are encouraged to use free software, study how it works, improve upon it, and distribute it. | @@ -356,7 +364,7 @@ | [PerfReports](http://www.allinea.com/") | helps you address the question of quality of utilization. It provides a one page HTML report - collecting, analyzing and reporting the key metrics that impact performance. It can be used without changing either the source code or the application - removing the barriers and opening access to everyon | | [PerfSuite](http://perfsuite.ncsa.illinois.edu/") | PerfSuite is a collection of tools, utilities, and libraries for software performance analysis where the primary design goals are ease of use, comprehensibility, interoperability, and simplicity. This software can provide a good "entry point" for more detailed performance analysis and can help point the way towards selecting other tools and/or techniques using more specialized software if necessary (for example, tools/libraries from academic research groups or third-party commercial software | | [Scalasca](http://www.scalasca.org/) | Scalasca is a software tool that supports the performance optimization of parallel programs by measuring and analyzing their runtime behavior. The analysis identifies potential performance bottlenecks – in particular those concerning communication and synchronization – and offers guidance in exploring their causes. | -| [Score-P](http://www.vi-hps.org/projects/score-p//) | Score-P offers the user a maximum of convenience by supporting a number of analysis tools. Currently, it works with Periscope, Scalasca, Vampir, and Tau and is open for other tools. Score-P comes together with the new Open Trace Format Version 2, the Cube4 profiling format and the Opari2 instrumenter (see below). Score-P is available under the New BSD Open Source license. | +| [Score-P](http://www.score-p.org) | The Score-P measurement infrastructure is a highly scalable and easy-to-use tool suite for profiling, event tracing, and online analysis of HPC applications. | | [Vampir](http://www.vampir.eu) | The Vampir software tool provides an easy-to-use framework that enables developers to quickly display and analyze arbitrary program behavior at any level of detail. The tool suite implements optimized event analysis algorithms and customizable displays that enable fast and interactive rendering of very complex performance monitoring data. | | [VampirServer](http://www.vampir.eu) | The Vampir software tool provides an easy-to-use framework that enables developers to quickly display and analyze arbitrary program behavior at any level of detail. The tool suite implements optimized event analysis algorithms and customizable displays that enable fast and interactive rendering of very complex performance monitoring data. | @@ -366,6 +374,7 @@ | ------ | ----------- | | [ALAMODE](http://alamode.readthedocs.io/) | ALAMODE is an open source software designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the calculated anharmonic force constants, you can also estimate lattice thermal conductivity, phonon linewidth, and other anharmonic phonon properties from first principles. | | [CASMcode](https://github.com/prisms-center/CASMcode) | CASM (https://github.com/prisms-center/CASMcode) is an open source software package designed to perform first-principles statistical mechanical studies of multi-component crystalline solids. CASM interfaces with first-principles electronic structure codes, automates the construction and parameterization of effective Hamiltonians and subsequently builds highly optimized (kinetic) Monte Carlo codes to predict finite-temperature thermodynamic and kinetic properties. CASM uses group theoretic techniques that take full advantage of crystal symmetry in order to rigorously construct effective Hamiltonians for almost arbitrary degrees of freedom in crystalline solids. This includes cluster expansions for configurational disorder in multi-component solids and lattice-dynamical effective Hamiltonians for vibrational degrees of freedom involved in structural phase transitions. | +| cst-studio | Old module, description not available. | | [DynaPhoPy](https://github.com/abelcarreras/DynaPhoPy) | Software to calculate crystal microscopic anharmonic properties from molecular dynamics (MD) using the normal-mode-decomposition technique. These properties include the phonon frequency shifts and linewidths, as well as the renormalized force constanst and thermal properties by using quasiparticle theory. This code includes interfaces for MD outputs from VASP and LAMMPS .PHONOPY code is used to obtain harmonic phonon modes. | | [Elk](http://elk.sourceforge.net/) | An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably. | | [LMGC90](https://git-xen.lmgc.univ-montp2.fr/lmgc90/) | LMGC90 is a free and open source software dedicated to multiple physics simulation of discrete material and structures. Module created by Jiri Tomcala from the PERMON Team (http://permon.it4i.cz) and Josef Hrabal from IT4I Supercomputing Services | @@ -375,6 +384,7 @@ | [phonopy](http://python.org/) | Python is a programming language that lets you work more quickly and integrate your systems more effectively. | | [PLUTO](https://github.com/JohannesBuchner/PLUTO) | PLUTO is Godunov-type code for astrophysical fluid dynamics supporting several modules and algorithms. This is the v 4.2 (August 2015) version of the code (http://plutocode.ph.unito.it). This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. | | [PragTic](http://permon.it4i.cz/pragtic) | PragTic is a module for massively parallel runs of the PragTic library. Homepage: http://permon.it4i.cz/pragtic. Module created by Jiri Tomcala from the PERMON Team (http://permon.it4i.cz) | +| [QMCPACK](https://qmcpack.org/) | QMCPACK, is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code. Its main applications are electronic structure calculations of molecular, quasi-2D and solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC) and a number of other advanced QMC algorithms are implemented. Orbital space auxiliary field QMC (AFQMC) has recently been added. By directly solving the Schrodinger equation, QMC methods offer greater accuracy than methods such as density functional theory, but at a trade-off of much greater computational expense. | | [Sen2Cor](http://step.esa.int/main/third-party-plugins-2/sen2cor/) | Sen2Cor is a processor for Sentinel-2 Level 2A product generation and formatting; it performs the atmospheric-, terrain and cirrus correction of Top-Of- Atmosphere Level 1C input data. Sen2Cor creates Bottom-Of-Atmosphere, optionally terrain- and cirrus corrected reflectance images; additional, Aerosol Optical Thickness-, Water Vapor-, Scene Classification Maps and Quality Indicators for cloud and snow probabilities. Its output product format is equivalent to the Level 1C User Product: JPEG 2000 images, three different resolutions, 60, 20 and 10 m. | | [Siesta](http://departments.icmab.es/leem/siesta) | SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. This version si compiled with OpenMP and MPI support. | | [VASP](http://www.vasp.at) | The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. To use VASP, You need academic licenses from University of Wiena. Follow the instructions https://www.vasp.at/index.php/faqs. Then send us please a list of authorized users and their ID for which you need this access. Please use only http://support.it4i.cz/rt. We are responsible to verify your licenses. After succesfull verification You will be granted to use VASP in our enviroment. | @@ -384,6 +394,8 @@ | Module | Description | | ------ | ----------- | | [absl-py](https://pypi.python.org/pypi/absl-py) | Abseil Python Common Libraries, see https://github.com/abseil/abseil-py. | +| [alchemical-analysis](https://github.com/MobleyLab/alchemical-analysis) | An open tool implementing some recommended practices for analyzing alchemical free energy calculations | +| [alchemlyb](https://github.com/alchemistry/alchemlyb/) | alchemlyb is an attempt to make alchemical free energy calculations easier to do by leveraging the full power and flexibility of the PyData stack | | [argparse](https://pypi.python.org/pypi/argparse) | The argparse module makes it easy to write user friendly command line interfaces. | | [ASE](https://wiki.fysik.dtu.dk/ase/) | ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. | | [asn1crypto](https://pypi.python.org/pypi/asn1crypto) | A fast, pure Python library for parsing and serializing ASN.1 structures. | @@ -401,6 +413,7 @@ | [cycler](https://matplotlib.org/cycler) | Composable style cycles. | | [dask](https://pypi.python.org/pypi/dask) | Parallel PyData with Task Scheduling. | | [decorator](https://pypi.python.org/pypi/decorator) | Better living through Python with decorators. | +| [dill](https://github.com/uqfoundation/dill) | dill extends python's pickle module for serializing and de-serializing python objects to the majority of the built-in python types. Serialization is the process of converting an object to a byte stream, and the inverse of which is converting a byte stream back to on python object hierarchy. | | [dist-keras](https://pypi.python.org/pypi/dist-keras) | Distributed Deep learning with Apache Spark with Keras. | | [DynaPhoPy](https://github.com/abelcarreras/DynaPhoPy) | Software to calculate crystal microscopic anharmonic properties from molecular dynamics (MD) using the normal-mode-decomposition technique. These properties include the phonon frequency shifts and linewidths, as well as the renormalized force constanst and thermal properties by using quasiparticle theory. This code includes interfaces for MD outputs from VASP and LAMMPS .PHONOPY code is used to obtain harmonic phonon modes. | | [enum34](https://pypi.python.org/pypi/enum34) | An enumeration is a set of symbolic names (members) bound to unique, constant values. | @@ -430,8 +443,9 @@ | [mock](https://pypi.python.org/pypi/enum34) | An enumeration is a set of symbolic names (members) bound to unique, constant values. | | [monotonic](https://pypi.python.org/pypi/monotonic) | This module provides a monotonic() function which returns the value (in fractional seconds) of a clock which never goes backwards. | | [monty](https://pypi.python.org/pypi/monty) | Monty is the missing complement to Python. | -| [mpi4py](http://mpi4py.scipy.org/docs) | MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors. | +| mpi4py | Old module, description not available. | | [mpmath](https://pypi.python.org/pypi/mpmath) | Python library for arbitrary-precision floating-point arithmetic. | +| [multiprocess](https://github.com/uqfoundation/multiprocess) | multiprocess is a fork of multiprocessing, and is developed as part of pathos: https://github.com/uqfoundation/pathos multiprocessing is a package for the Python language which supports the spawning of processes using the API of the standard library's threading module. multiprocessing has been distributed in the standard library since python 2.6 | | [networkx](https://pypi.python.org/pypi/networkx) | NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks. | | [numpy](http://www.numpy.org) | NumPy is the fundamental package for scientific computing with Python. It contains among other things: a powerful N-dimensional array object, sophisticated (broadcasting) functions, tools for integrating C/C++ and Fortran code, useful linear algebra, Fourier transform, and random number capabilities. Besides its obvious scientific uses, NumPy can also be used as an efficient multi-dimensional container of generic data. Arbitrary data-types can be defined. This allows NumPy to seamlessly and speedily integrate with a wide variety of databases. | | [packaging](https://pypi.python.org/pypi/packaging) | Core utilities for Python packages. | @@ -443,6 +457,7 @@ | [Pillow](http://pillow.readthedocs.org/) | Pillow is the 'friendly PIL fork' by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors. | | [Platypus](https://github.com/andyrimmer/Platypus) | The Platypus variant caller. | | [pluggy](https://github.com/pytest-dev/pluggy) | Plugin and hook calling mechanisms for python. | +| [pmx](https://github.com/alchemistry/alchemlyb/) | alchemlyb is an attempt to make alchemical free energy calculations easier to do by leveraging the full power and flexibility of the PyData stack | | [pudb](https://pypi.python.org/pypi/pudb) | PuDB is a full-screen, console-based visual debugger for Python. | | [py4j](https://pypi.python.org/pypi/py4j) | Enables Python programs to dynamically access arbitrary Java objects. | | [pyasn1](https://pypi.python.org/pypi/pyasn1) | Pure-Python implementation of ASN.1 types and DER/BER/CER codecs (X.208) | @@ -452,10 +467,10 @@ | [pydot](https://pypi.python.org/pypi/pydot) | A Python interface to GraphViz and the DOT language. | | [pyFFTW](https://pypi.python.org/pypi/pyFFTW) | A pythonic wrapper around FFTW, the FFT library, presenting a unified interface for all the supported transforms. | | [pymatgen](https://pypi.python.org/pypi/pymatgen) | Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project (https://www.materialsproject.org). | +| [pymbar](https://github.com/MobleyLab/alchemical-analysis) | An open tool implementing some recommended practices for analyzing alchemical free energy calculations | | [PyNaCl](https://pypi.python.org/pypi/PyNaCl) | Python binding to the Networking and Cryptography (NaCl) library | | [pyparsing](http://pyparsing.wikispaces.com) | The pyparsing module provides a library of classes that client code uses to construct the grammar directly in Python code. | | [PyQt](http://www.riverbankcomputing.co.uk/software/pyqt) | PyQt is a set of Python v2 and v3 bindings for Digia's Qt application framework. | -| [PyQt5](http://www.riverbankcomputing.co.uk/software/pyqt) | PyQt5 is a set of Python bindings for v5 of the Qt application framework from The Qt Company. | | [pyspark](https://pypi.python.org/pypi/pyspark) | Apache Spark Python API | | [pytest](http://pytest.org) | Simple powerful testing with Python | | [python-dateutil](https://github.com/dateutil/dateutil) | Useful extensions to the standard Python datetime features. | @@ -499,6 +514,7 @@ | [hwloc](http://www.open-mpi.org/projects/hwloc/) | The Portable Hardware Locality (hwloc) software package provides a portable abstraction (across OS, versions, architectures, ...) of the hierarchical topology of modern architectures, including NUMA memory nodes, sockets, shared caches, cores and simultaneous multithreading. It also gathers various system attributes such as cache and memory information as well as the locality of I/O devices such as network interfaces, InfiniBand HCAs or GPUs. It primarily aims at helping applications with gathering information about modern computing hardware so as to exploit it accordingly and efficiently. | | [libpciaccess](http://cgit.freedesktop.org/xorg/lib/libpciaccess/) | Generic PCI access library. | | [LibreSSL](http://www.libressl.org/) | LibreSSL is a version of the TLS/crypto stack forked from OpenSSL in 2014, with goals of modernizing the codebase, improving security, and applying best practice development processes. Primary development occurs inside the OpenBSD source tree with the usual care the project is known for. On a regular basis the code is re-packaged for portable use by other operating systems (Linux, FreeBSD, Windows, etc). | +| [OpenPGM](http://code.google.com/p/openpgm/) | OpenPGM is an open source implementation of the Pragmatic General Multicast (PGM) specification in RFC 3208 available at www.ietf.org. PGM is a reliable and scalable multicast protocol that enables receivers to detect loss, request retransmission of lost data, or notify an application of unrecoverable loss. PGM is a receiver-reliable protocol, which means the receiver is responsible for ensuring all data is received, absolving the sender of reception responsibility. | | [OpenSSL](http://www.openssl.org/) | The OpenSSL Project is a collaborative effort to develop a robust, commercial-grade, full-featured, and Open Source toolchain implementing the Secure Sockets Layer (SSL v2/v3) and Transport Layer Security (TLS v1) protocols as well as a full-strength general purpose cryptography library. | ## Toolchain @@ -517,7 +533,7 @@ | [libc](https://www.gnu.org/software/libc/) | The Glibc package contains the main C library. This library provides the basic routines for allocating memory, searching directories, opening and closing files, reading and writing files, string handling, pattern matching, arithmetic, and so on. | | [PRACE](http://www.prace-ri.eu/PRACE-Common-Production) | The PRACE Common Production Environment (PCPE) is a set of software tools and libraries that are planned to be available on all PRACE execution sites. The PCPE also defines a set of environment variables that try to make compilation on all sites as homogeneous and simple as possible. | | [prace](http://www.prace-ri.eu/PRACE-Common-Production) | PRACE Common Production Environment (PCPE) Initialisation of the PRACE common production environment. This allows you to assume that the following tools/libraries are available by default in your PATH/environment. * Fortran, C, C++ Compilers * MPI * BLAS, LAPACK, BLACS, ScaLAPACK * FFTW * HDF5, NetCDF The compiler commands on are: * mpif90 - Fortran compiler * mpicc - C compiler * mpicxx - C++ compiler For more information on the PCPE please see the documentation at: http://www.prace-ri.eu/PRACE-Common-Production For help using this system, please see Local User Guide available at: http://prace-ri.eu/Best-Practice-Guide-Anselm-HTML | -| [Py](https://www.python.org) | Python 2.7 toolchain | +| [Py](https://www.python.org) | Python 3.6 toolchain | ## Tools @@ -532,11 +548,14 @@ | [bzip2](http://www.bzip.org/) | bzip2 is a freely available, patent free, high-quality data compressor. It typically compresses files to within 10% to 15% of the best available techniques (the PPM family of statistical compressors), whilst being around twice as fast at compression and six times faster at decompression. | | [CORALbenchmark](https://asc.llnl.gov/CORAL-benchmarks) | Benchmark Codes | | [Coreutils](http://www.gnu.org/software/coreutils/) | The GNU Core Utilities are the basic file, shell and text manipulation utilities of the GNU operating system. These are the core utilities which are expected to exist on every operating system. | -| [cURL](http://curl.haxx.se) | libcurl is a free and easy-to-use client-side URL transfer library, supporting DICT, FILE, FTP, FTPS, Gopher, HTTP, HTTPS, IMAP, IMAPS, LDAP, LDAPS, POP3, POP3S, RTMP, RTSP, SCP, SFTP, SMTP, SMTPS, Telnet and TFTP. libcurl supports SSL certificates, HTTP POST, HTTP PUT, FTP uploading, HTTP form based upload, proxies, cookies, user+password authentication (Basic, Digest, NTLM, Negotiate, Kerberos), file transfer resume, http proxy tunneling and more. | +| [cURL](http://curl.haxx.se) | libcurl is a free and easy-to-use client-side URL transfer library | | [DMTCP](http://dmtcp.sourceforge.net/index.html) | DMTCP (Distributed MultiThreaded Checkpointing) transparently checkpoints a single-host or distributed computation in user-space -- with no modifications to user code or to the O/S. | +| [dos2unix](https://sourceforge.net/projects/dos2unix) | dos2unix includes utilities to convert text files with DOS or MAC line breaks to Unix line breaks and vice versa. It also includes conversion of UTF-16 to UTF-8. | | [duplicity](http://duplicity.nongnu.org/index.html) | Encrypted bandwidth-efficient backup using the rsync algorithm. | | [EasyBuild](https://easybuilders.github.io/easybuild) | EasyBuild is a software build and installation framework written in Python that allows you to install software in a structured, repeatable and robust way. | +| [ed](http://www.gnu.org/software/ed/ed.html) | GNU ed is a line-oriented text editor. | | [expat](http://expat.sourceforge.net/) | Expat is an XML parser library written in C. It is a stream-oriented parser in which an application registers handlers for things the parser might find in the XML document (like start tags) | +| [gettext](http://www.gnu.org/software/gettext/) | GNU `gettext' is an important step for the GNU Translation Project, as it is an asset on which we may build many other steps. This package offers to programmers, translators, and even users, a well integrated set of tools and documentation | | [Ghostscript](http://ghostscript.com) | Ghostscript is a versatile processor for PostScript data with the ability to render PostScript to different targets. It used to be part of the cups printing stack, but is no longer used for that. | | [git](http://git-scm.com/) | Git is a free and open source distributed version control system designed to handle everything from small to very large projects with speed and efficiency. | | [globus](http://toolkit.globus.org/toolkit/") | Set environment variables to enable usage of Globus | @@ -570,7 +589,6 @@ | [QEMU](http://wiki.qemu.org/Main_Page) | QEMU is a generic and open source machine emulator and virtualizer. | | [RStudio](https://www.rstudio.com) | RStudio is a set of integrated tools designed to help you be more productive with R. It includes a console, syntax-highlighting editor that supports direct code execution, as well as tools for plotting, history, debugging and workspace management. | | [Scalasca](http://www.scalasca.org/) | Scalasca is a software tool that supports the performance optimization of parallel programs by measuring and analyzing their runtime behavior. The analysis identifies potential performance bottlenecks – in particular those concerning communication and synchronization – and offers guidance in exploring their causes. | -| [Score-P](http://www.vi-hps.org/projects/score-p//) | Score-P offers the user a maximum of convenience by supporting a number of analysis tools. Currently, it works with Periscope, Scalasca, Vampir, and Tau and is open for other tools. Score-P comes together with the new Open Trace Format Version 2, the Cube4 profiling format and the Opari2 instrumenter (see below). Score-P is available under the New BSD Open Source license. | | [SDE](https://software.intel.com/en-us/articles/intel-software-development-emulator) | Intel Software Development Emulator is a pintool that enables the development of applications using instruction set extensions that are not currently implemented in hardware. | | [SentinelToolboxes](https://sentinel.esa.int/web/sentinel/toolboxes) | A common architecture for all Sentinel Toolboxes is being jointly developed by Brockmann Consult, Array Systems Computing and C-S called the Sentinel Application Platform (SNAP). The SNAP architecture is ideal for Earth Observation processing and analysis due the following technological innovations: Extensibility, Portability, Modular Rich Client Platform, Generic EO Data Abstraction, Tiled Memory Management, and a Graph Processing Framework. | | [Serf](http://serf.apache.org/) | The serf library is a high performance C-based HTTP client library built upon the Apache Portable Runtime (APR) library | @@ -579,7 +597,6 @@ | [Szip](http://www.hdfgroup.org/doc_resource/SZIP/) | Szip compression software, providing lossless compression of scientific data | | [Tar](http://www.gnu.org/software/tar/tar.html) | tar: The GNU tape archiver | | [tcsh](http://www.tcsh.org) | Tcsh is an enhanced, but completely compatible version of the Berkeley UNIX C shell (csh). It is a command language interpreter usable both as an interactive login shell and a shell script command processor. It includes a command-line editor, programmable word completion, spelling correction, a history mechanism, job control and a C-like syntax. | -| [tmux](https://github.com/tmux/tmux/wiki) | It lets you switch easily between several programs in one terminal, detach them (they keep running in the background) and reattach them to a different terminal | | [turbovnc](http://www.turbovnc.org) | TurboVNC is a derivative of VNC (Virtual Network Computing) that is tuned to provide peak performance for 3D and video workloads. | | [util-linux](http://www.kernel.org/pub/linux/utils/util-linux) | Set of Linux utilities | | [VDE2](http://vde.sourceforge.net) | VDE is an ethernet compliant virtual network that can be spawned over a set of physical computer over the Internet. VDE is part of virtualsquare project. | @@ -645,6 +662,7 @@ | [PyCairo](http://cairographics.org/pycairo/) | Python bindings for the cairo library | | [PyGObject](http://www.pygtk.org/) | Python Bindings for GLib/GObject/GIO/GTK+ | | [PyGTK](http://www.pygtk.org/) | PyGTK lets you to easily create programs with a graphical user interface using the Python programming language. | +| [PyQt5](http://www.riverbankcomputing.co.uk/software/pyqt) | PyQt5 is a set of Python bindings for v5 of the Qt application framework from The Qt Company. | | [scikit-image](http://scikit-learn.org/stable/index.html) | Scikit-learn integrates machine learning algorithms in the tightly-knit scientific Python world, building upon numpy, scipy, and matplotlib. As a machine-learning module, it provides versatile tools for data mining and analysis in any field of science and engineering. It strives to be simple and efficient, accessible to everybody, and reusable in various contexts. | | [seekpath](https://github.com/giovannipizzi/seekpath) | SeeK-path is a python module to obtain and visualize band paths in the Brillouin zone of crystal structures. The definition of k-point labels follows crystallographic convention, as defined and discussed in the HPKOT paper. Moreover, the Bravais lattice is detected properly using the spacegroup symmetry. Also the suggested band path provided in the HPKOT paper is returned. Systems without time-reversal and inversion-symmetry are also properly taken into account. | | [SUMO](http://www.sumo.dlr.de/wiki/Main_Page) | Simulation of Urban MObility (SUMO) is an open source, highly portable, microscopic and continuous road traffic simulation package designed to handle large road networks. | @@ -655,6 +673,7 @@ | [VTK](http://www.vtk.org) | The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several interpreted interface layers including Tcl/Tk, Java, and Python. VTK supports a wide variety of visualization algorithms including: scalar, vector, tensor, texture, and volumetric methods; and advanced modeling techniques such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation. | | [X11](https://www.x.org) | The X Window System (X11) is a windowing system for bitmap displays | | [x264](http://www.videolan.org/developers/x264.html) | x264 is a free software library and application for encoding video streams into the H.264/MPEG-4 AVC compression format, and is released under the terms of the GNU GPL. | +| [x265](http://x265.org/) | x265 is a free software library and application for encoding video streams into the H.265 AVC compression format, and is released under the terms of the GNU GPL. | | [Xvfb](http://www.x.org) | Xvfb is an X server that can run on machines with no display hardware and no physical input devices. It emulates a dumb framebuffer using virtual memory. | ## Vizserv diff --git a/uv2000.csv b/uv2000.csv index afd061fc..11b39f45 100644 --- a/uv2000.csv +++ b/uv2000.csv @@ -1,15 +1,20 @@ ABINIT/7.10.1-foss-2015b,4 ABINIT/7.10.1-intel-2015b,4 +Autoconf/2.69,4 +Automake/1.15,4 +Autotools/20150215,4 Bash/4.2-intel-2015b,4 Bash/4.4-GCC-6.3.0-2.27,4 Bash/4.4-intel-2017b,4 binutils/2.25-GCC-4.9.3-binutils-2.25,4 binutils/2.25-GCC-5.1.0-binutils-2.25,4 +binutils/2.25-GCCcore-4.9.3,4 +binutils/2.26,4 binutils/2.27,4 binutils/2.27-GCCcore-6.3.0,4 binutils/2.28,4 -binutils/2.28-GCCcore-6.4.0,4 binutils/2.28-GCCcore-7.1.0,4 +Bison/3.0.4,4 Bison/3.0.4-GCCcore-6.3.0,4 BLCR/0.8.5,4 Boost/1.58.0-intel-2015b-Python-2.7.9,4 @@ -17,6 +22,7 @@ Boost/1.63.0-intel-2017a,4 bzip2/1.0.6,4 bzip2/1.0.6-foss-2015b,4 bzip2/1.0.6-foss-2015g,4 +bzip2/1.0.6-foss-2016a,4 bzip2/1.0.6-intel-2015b,4 cairo/1.14.8,4 CGAL/4.8.1-intel-2017a,4 @@ -26,7 +32,6 @@ COMSOL/52-EDU,4 CUDA/7.5.18,4 CUDA/8.0.61,4 CUDA/9.1.85,4 -cURL/7.45.0-foss-2015b,4 cURL/7.53.1,4 cURL/7.53.1-GCCcore-6.3.0,4 DMTCP/2.5.1,4 @@ -34,6 +39,8 @@ DMTCP/2.5.2,4 Doxygen/1.8.11-intel-2017a,4 Doxygen/1.8.13-GCCcore-6.3.0,4 EasyBuild/3.2.0,4 +EasyBuild/3.8.0,4 +expat/2.1.0,4 expat/2.1.0-foss-2015b,4 expat/2.2.0,4 FastQC/0.11.3,4 @@ -41,7 +48,6 @@ FFTW/3.3.4-gompi-2015b,4 FFTW/3.3.4-gompi-2015e,4 FFTW/3.3.4-gompi-2015g,4 FFTW/3.3.4-intel-2015b,4 -FFTW/3.3.5-intel-2017.00,4 FFTW/3.3.6-gompi-2017a,4 FFTW/3.3.6-intel-2017a,4 flex/2.6.0,4 @@ -52,17 +58,20 @@ fontconfig/2.12.1-libpng-1.6.29,4 foss/2015b,4 foss/2015e,4 foss/2015g,4 +foss/2016a,4 foss/2017a,4 freetype/2.7.1-libpng-1.6.29,4 GATK/2.6-5-Java-1.7.0_79,4 GCC/4.4.7-system,4 +GCC/4.9.3-2.25,4 GCC/4.9.3,4 GCC/4.9.3-binutils-2.25,4 GCC/5.1.0-binutils-2.25,4 GCC/6.3.0-2.27,4 GCC/7.1.0-2.28,4 +GCCcore/4.9.3,4 +GCCcore/5.4.0,4 GCCcore/6.3.0,4 -GCCcore/6.4.0,4 GCCcore/7.1.0,4 GDAL/2.1.3-Python-2.7.13,4 GEOS/3.6.1-Python-2.7.13,4 @@ -71,6 +80,7 @@ gettext/0.19.8.1,4 gettext/0.19.8,4 GLib/2.40.0,4 GLib/2.52.0,4 +GLib/2.57.1,4 GMP/6.1.1,4 GMP/6.1.2,4 GNU/4.9.3-2.25,4 @@ -78,29 +88,30 @@ GNU/5.1.0-2.25,4 gompi/2015b,4 gompi/2015e,4 gompi/2015g,4 +gompi/2016a,4 gompi/2017a,4 +gompi/2017b,4 +gperf/3.1,4 +gzip/1.6,4 HDF5/1.10.0-patch1-intel-2017a,4 HDF5/1.8.13-intel-2015b,4 -HDF5/1.8.15-patch1-foss-2015b,4 HDF5/1.8.16-intel-2015b,4 HDF5/1.8.17-intel-2017a,4 hwloc/1.11.0-GNU-4.9.3-2.25,4 hwloc/1.11.0-GNU-5.1.0-2.25,4 +hwloc/1.11.2-GCC-4.9.3-2.25,4 hwloc/1.11.5-GCC-6.3.0-2.27,4 hwloc/1.11.7-GCC-6.3.0-2.27,4 hwloc/1.11.7-GCC-7.1.0-2.28,4 icc/2015.3.187-GNU-5.1.0-2.25,4 icc/2017.1.132-GCC-5.4.0-2.26,4 icc/2017.1.132-GCC-6.3.0-2.27,4 -icc/2017.4.196-GCC-6.4.0-2.28,4 iccifort/2015.3.187-GNU-5.1.0-2.25,4 iccifort/2017.1.132-GCC-5.4.0-2.26,4 iccifort/2017.1.132-GCC-6.3.0-2.27,4 -iccifort/2017.4.196-GCC-6.4.0-2.28,4 ifort/2015.3.187-GNU-5.1.0-2.25,4 ifort/2017.1.132-GCC-5.4.0-2.26,4 ifort/2017.1.132-GCC-6.3.0-2.27,4 -ifort/2017.4.196-GCC-6.4.0-2.28,4 iimpi/2017a,4 iimpi/2017b,4 iimpi/7.3.5-GNU-5.1.0-2.25,4 @@ -108,7 +119,6 @@ imkl/11.2.3.187-iimpi-7.3.5-GNU-5.1.0-2.25,4 imkl/2017.1.132-iimpi-2017a,4 imkl/2017.3.196-iimpi-2017b,4 impi/2017.1.132-iccifort-2017.1.132-GCC-6.3.0-2.27,4 -impi/2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28,4 impi/5.0.3.048-iccifort-2015.3.187-GNU-5.1.0-2.25,4 intel/2015b,4 intel/2017a,4 @@ -120,6 +130,7 @@ Java/1.8.0_51,4 Java/1.8.0_72,4 libdrm/2.4.75,4 libdrm/2.4.76,4 +libffi/3.0.13,4 libffi/3.2.1,4 libGLU/9.0.0,4 Libint/1.1.4-intel-2015b,4 @@ -127,6 +138,7 @@ libjpeg-turbo/1.4.1-foss-2015b,4 libjpeg-turbo/1.5.1,4 libpng/1.6.17-foss-2015b,4 libpng/1.6.29,4 +libpng/1.6.34,4 libpng/1.6.9-intel-2015b,4 libpthread-stubs/0.4,4 libreadline/6.2-intel-2015b,4 @@ -137,11 +149,14 @@ libreadline/6.3-intel-2015b,4 libreadline/7.0,4 libsndfile/1.0.28-intel-2017a,4 LibTIFF/4.0.7,4 +libtool/2.4.6,4 libxc/2.2.1-intel-2015b,4 libxml2/2.9.2-foss-2015b,4 libxml2/2.9.4,4 +libxml2/2.9.4-Python-2.7.13,4 LLVM/3.8.1-intel-2017a,4 LLVM/4.0.0-GCC-6.3.0-2.27,4 +LLVM/6.0.1-GCC-6.3.0-2.27,4 M4/1.4.17,4 M4/1.4.18,4 M4/1.4.18-GCCcore-6.3.0,4 @@ -152,29 +167,32 @@ Maven/3.3.9,4 Mercurial/3.7.3-foss-2015g-Python-2.7.9,4 Mesa/12.0.2-intel-2017a,4 Mesa/17.0.2-intel-2017a,4 +Mesa/18.1.3-GCC-6.3.0-2.27,4 METIS/5.1.0-intel-2017a,4 Mono/5.0.0.100,4 moreutils/0.62,4 MPFR/3.1.4-intel-2017a,4 NASM/2.11.08-foss-2015b,4 NASM/2.12.02,4 +ncurses/5.9,4 ncurses/5.9-foss-2015b,4 ncurses/5.9-foss-2015g,4 ncurses/5.9-intel-2015b,4 ncurses/6.0,4 ncurses/6.0-GCCcore-6.3.0,4 ncurses/6.0-intel-2017a,4 +ncurses/6.1,4 netCDF/4.3.2-intel-2015b,4 -netCDF/4.3.3.1-foss-2015b,4 netCDF/4.4.1.1-intel-2017a,4 netCDF/4.4.1-intel-2017a,4 netCDF-Fortran/4.4.4-intel-2017a,4 nettle/3.2-intel-2017a,4 +nettle/3.3-GCC-6.3.0-2.27,4 nettle/3.3-intel-2017a,4 NLopt/2.4.2-intel-2017a,4 numactl/2.0.10-GNU-4.9.3-2.25,4 numactl/2.0.10-GNU-5.1.0-2.25,4 -numactl/2.0.11-GCC-6.3.0-2.27,4 +numactl/2.0.11-GCC-4.9.3-2.25,4 numactl/2.0.11-GCC-7.1.0-2.28,4 OpenBLAS/0.2.14-GNU-4.9.3-2.25-LAPACK-3.5.0,4 OpenBLAS/0.2.14-GNU-5.1.0-2.25-LAPACK-3.5.0,4 @@ -185,7 +203,7 @@ OpenBLAS/0.2.20-GCC-6.3.0-2.27,4 OpenFOAM/2.2.2-intel-2015b,4 OpenFOAM/2.3.0-intel-2015b,4 OpenFOAM/4.1-intel-2017a,4 -OpenMPI/1.10.2-GCC-4.9.3-2.25,4 +OpenFOAM/5.0-intel-2017a,4 OpenMPI/1.10.7-GCC-6.3.0-2.27,4 OpenMPI/1.10.7-GCC-7.1.0-2.28,4 OpenMPI/1.8.6-GCC-4.4.7-system,4 @@ -194,7 +212,9 @@ OpenMPI/2.0.2-GCC-6.3.0-2.27,4 OpenMPI/2.1.1-GCC-6.3.0-2.27,4 OpenMPI/3.0.0-GCC-6.3.0-2.27,4 ParaView/5.1.2-intel-2017a-mpi,4 +ParaView/5.4.1-intel-2017a-mpi,4 PCRE/8.40,4 +PCRE/8.42,4 Perl/5.16.3-intel-2015b,4 pixman/0.34.0,4 pkg-config/0.29.1,4 @@ -211,15 +231,18 @@ Python/3.6.1,4 QEMU/2.1.2-GCC-4.4.7-system,4 QEMU/2.1.2-GCC-4.4.7-system-VDE2,4 Qt5/5.8.0-GCC-6.3.0-2.27,4 +Qt5/5.8.0-intel-2017a,4 R/3.1.1-intel-2015b,4 R/3.4.0-intel-2017a-X11-20170314,4 ScaLAPACK/2.0.2-gompi-2015b-OpenBLAS-0.2.14-LAPACK-3.5.0,4 ScaLAPACK/2.0.2-gompi-2015e-OpenBLAS-0.2.14-LAPACK-3.5.0,4 ScaLAPACK/2.0.2-gompi-2015g-OpenBLAS-0.2.14-LAPACK-3.5.0,4 +ScaLAPACK/2.0.2-gompi-2016a-OpenBLAS-0.2.15-LAPACK-3.6.0,4 ScaLAPACK/2.0.2-gompi-2017a-OpenBLAS-0.2.19-LAPACK-3.7.0,4 SCOTCH/6.0.0_esmumps-intel-2015b,4 SCOTCH/6.0.3-intel-2015b,4 SCOTCH/6.0.4-intel-2017a,4 +SCOTCH/6.0.5a-intel-2017a,4 Singularity/2.2.1-GCC-6.3.0-2.27,4 SnpEff/4.1_G,4 SQLite/3.13.0,4 @@ -229,7 +252,7 @@ SQLite/3.8.8.1-foss-2015b,4 SQLite/3.8.8.1-foss-2015g,4 SQLite/3.8.8.1-intel-2015b,4 SWIG/3.0.12-Python-2.7.13,4 -Szip/2.1-foss-2015b,4 +Szip/2.1,4 Szip/2.1-intel-2015b,4 Szip/2.1-intel-2017a,4 tbb/4.4.2.152,4 @@ -237,12 +260,14 @@ Tcl/8.5.12-intel-2015b,4 Tcl/8.6.3-foss-2015g,4 Tcl/8.6.3-intel-2015b,4 Tcl/8.6.4-foss-2015b,4 +Tcl/8.6.5,4 Tcl/8.6.6,4 tcsh/6.18.01-intel-2015b,4 Tk/8.5.12-intel-2015b,4 Tk/8.6.4-foss-2015b-no-X11,4 Tk/8.6.6,4 util-linux/2.29.2,4 +util-linux/2.32,4 VASP/5.4.1-intel-2015b-24Jun15,4 VASP/5.4.4-intel-2017a-mkl=cluster,4 VASP/5.4.4-intel-2017a-mkl=paralel,4 @@ -251,10 +276,12 @@ VDE2/2.3.2-GCC-4.4.7-system,4 VisIt/2.10.0,4 X11/20160819,4 X11/20170314,4 +XZ/5.2.2,4 XZ/5.2.3,4 zlib/1.2.11,4 zlib/1.2.7-intel-2015b,4 zlib/1.2.8,4 zlib/1.2.8-foss-2015b,4 zlib/1.2.8-foss-2015g,4 +zlib/1.2.8-foss-2016a,4 zlib/1.2.8-intel-2015b,4 diff --git a/uv2000.md b/uv2000.md index ea8dc219..23043c47 100644 --- a/uv2000.md +++ b/uv2000.md @@ -50,7 +50,9 @@ | [Autotools](http://autotools.io) | This bundle collect the standard GNU build tools: Autoconf, Automake and libtool | | [Boost](http://www.boost.org/) | Boost provides free peer-reviewed portable C++ source libraries. | | [CMake](http://www.cmake.org) | CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software. | +| [DBus](http://dbus.freedesktop.org/) | D-Bus is a message bus system, a simple way for applications to talk to one another. In addition to interprocess communication, D-Bus helps coordinate process lifecycle; it makes it simple and reliable to code a "single instance" application or daemon, and to launch applications and daemons on demand when their services are needed. | | [Doxygen](http://www.doxygen.org) | Doxygen is a documentation system for C++, C, Java, Objective-C, Python, IDL (Corba and Microsoft flavors), Fortran, VHDL, PHP, C#, and to some extent D. | +| [gperf](http://www.gnu.org/software/gperf/) | GNU gperf is a perfect hash function generator. For a given list of strings, it produces a hash function and hash table, in form of C or C++ code, for looking up a value depending on the input string. The hash function is perfect, which means that the hash table has no collisions, and the hash table lookup needs a single string comparison only. | | [M4](http://www.gnu.org/software/m4/m4.html) | GNU M4 is an implementation of the traditional Unix macro processor. It is mostly SVR4 compatible although it has some extensions (for example, handling more than 9 positional parameters to macros). GNU M4 also has built-in functions for including files, running shell commands, doing arithmetic, etc. | | [make](http://www.gnu.org/software/make/make.html) | make-3.82: GNU version of make utility | | [Mako](http://www.makotemplates.org) | A super-fast templating language that borrows the best ideas from the existing templating languages | @@ -96,6 +98,8 @@ | libtool | Old module, description not available. | | [libxml2](http://xmlsoft.org/) | Libxml2 is the XML C parser and toolchain developed for the Gnome project (but usable outside of the Gnome platform). | | [nettle](http://www.lysator.liu.se/~nisse/nettle/) | Nettle is a cryptographic library that is designed to fit easily in more or less any context: In crypto toolkits for object-oriented languages (C++, Python, Pike, ...), in applications like LSH or GNUPG, or even in kernel space. | +| [NSPR](https://developer.mozilla.org/en-US/docs/Mozilla/Projects/NSPR) | Netscape Portable Runtime (NSPR) provides a platform-neutral API for system level and libc-like functions. | +| [NSS](https://developer.mozilla.org/en-US/docs/Mozilla/Projects/NSS) | Network Security Services (NSS) is a set of libraries designed to support cross-platform development of security-enabled client and server applications. | | [PROJ](http://trac.osgeo.org/proj/) | Program proj is a standard Unix filter function which converts geographic longitude and latitude coordinates into cartesian coordinates | | [tbb](http://software.intel.com/en-us/articles/intel-tbb/) | Intel Threading Building Blocks 4.0 (Intel TBB) is a widely used, award-winning C++ template library for creating reliable, portable, and scalable parallel applications. Use Intel TBB for a simple and rapid way of developing robust task-based parallel applications that scale to available processor cores, are compatible with multiple environments, and are easier to maintain. Intel TBB is the most proficient way to implement future-proof parallel applications that tap into the power and performance of multicore and manycore hardware platforms. | | [zlib](http://www.zlib.net/) | zlib is designed to be a free, general-purpose, legally unencumbered -- that is, not covered by any patents -- lossless data-compression library for use on virtually any computer hardware and operating system. | -- GitLab