Rosetta_3.15 #15

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agosti_j wants to merge 0 commits from Rosetta_3.15 into main
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The Rosetta software suite includes algorithms for computational modeling and analysis of protein structures. It has enabled notable scientific advances in computational biology, including de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes.

https://github.com/RosettaCommons/rosetta

Version 3.15:

The Rosetta software suite includes algorithms for computational modeling and analysis of protein structures. It has enabled notable scientific advances in computational biology, including de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes. https://github.com/RosettaCommons/rosetta **Version 3.15:** - Downloaded from https://downloads.rosettacommons.org - Compiled for x86-64 and ARM64
agosti_j added 2529 commits 2025-10-17 08:47:50 +02:00
- DONE items
- installation of doc-files simplified
- restrict build of module to supported compilers is now possible
- cleanup
- Amesos2 enabled
- build with OpenBLAS
SuperLU_DIST/3.3: added
UMFPACK/5.6.2: added
netcdf/4.3.2: added
trilinos/11.8.1: new version
- bugfixes in setting up family HDF5_serial
- skip call of em.cleanup_build() if nothing was build
- exit if a build failed
- set 'bindir' if not set
- '\n' removed from info() and error()
- die() always prints to stderr
- get_abspath(), append_path(), prepend_path(), remove_path() added
- cache 'FAMILES' and 'HIERARCHY_DEPTHS'
- usage output reviewed
- append_path (), prepend_path(), remove_path() moved to libpmodules
- is_modulefile() added (testing shebang)
- argument/option handling reviewed, using 'getopt' now for all sub-commands
- in sub-command 'load': testing whether a module is loadable improved
- use 'info' for most output
- bugfixes
- bugfix in handling sub-command without arguments
- bugfixes
- minor changes
Conflicts:
	scripts/Bootstrap/Pmodules/libpmodules.bash
	scripts/Bootstrap/Pmodules/modmanage.in
Conflicts:
	scripts/Bootstrap/Pmodules/libpmodules.bash
- Exit with correct return value in non library mode
- header of delete_module() fixed
- in function subcommand_sync():
    - use value of PMODULES_INSTALL_SOURCE for src_prefix if not
      specified on command line
- bugfix in subcommand_search: argument --src was not handled correctly
- bugfix: accept tilde and slash as first character of an argument
- bugfix in sub-command use:
	- PSI_LOADEDFAMILIES was not updated
- expose less env.vars to the user, cache them in PMODULES_ENV
- PSI_RELEASES renamed to PSI_DEFINED_RELEASES
- set PSI_DEFAULT_RELEASES instead of PSI_USED_RELEASES
- PSI_USED_RELEASES renamed to USED_RELEASES (and saved in PMODULES_ENV)
- export vars via function 'export_env()'
- PSI_RELEASES renamed to PSI_DEFINED_RELEASES
- bugfixes
- sub-command 'clear' fixed
- sub-command 'whatis' partially fixed
- added
- create $PREFIX, make expect the existance of it
- use the term 'group' instead of 'family'
- prefix 'PSI_' changed to 'PMODULES_' for several shell vars.
- core to find tarball of package moved to function and improved
- coreutils added, we need a unique base64
- use our own GNU base64
- configure with out libjpeg if OS is Linux
- bugfixes in modulecmd.in
- bugfixes in modmanage.in
- in function log(): redirect output to '1>&$fd' not '/dev/fd/$fd',
  writing to '/dev/fd/X' might run into permission problems
- in function sync_modules(): do not sync module template files
- support for extensions in build directories added
- cleanup of build can be disabled via command-line opt
- added
- added
- do not compile with system compiler
- renamed to 'environment.csh.in'
scripts/Bootstrap/Pmodules/modmanage.in:
- renamed to 'modmanage.bash.in'
scripts/Bootstrap/Pmodules/modulecmd.tcl:
- removed
- coreutils added
- do not cleanup after build dir
- specify bash verion
- PSI_ variables renamed
- new modulefiles layout implemented
- autoload libmodules.tcl
- use of term 'group' instead of 'family'
- PSI variables renamed
- adapted to new modulefiles layout
- use term 'group' instead of 'family'
- renamed to 'libpmodules.bash'
- symlink for backward compatibility
- underscore removed as prefix of function names
- keyword function removed
- use 'readlink -f' in 'abspath()'
- bugfix in 'subcommand_use()'
- set PATH after sourcing lib.bash
- cleanup $PMODULES_DIR before compiling
- set correct exec_prefix
- do not set MODULESHOME
- fixes
- adapted to new variable names
- do not read profiles
- tcsh output added to 'export_env()'
- supress errors from 'typeset' in 'save_env()'
- use 'export_env()' to instead of 'echo'
- add global declaration of PMODULES_DEFAULT_GROUPS
  and PMODULES_DEFAULT_RELEASES to 'pmodules_init()'
- add 'tcsh' as supported shell
- set version to 0.99.4
- set default Pythion version to 3.4.3
- read version from 'Pmodules_version.conf, if bootstrapping
- fix bash glob issue with [A-Z]* pattern
- add Intel C support
- add Intel C support
- add Intel C support
- -fpermissive removed frm CXX_FLAGS
- set C++ standard to C++11
- ippl removed as dependency
- ippl removed
- OPAL version changed to 1.4.0rc1
- '--norc' removed from shebang
- bugfix PMODULES_PREFIX has been renamed to PMODULES_ROOT
- cleanup
- building Fortran bindings enabled
- read_versions() added
- new, language independent format
- support for new format of Pmodules_version.conf
- adapted to new format of Pmodules_version.conf
- conditional compiling
- adapted to new format of Pmodules_version.conf
- support for target 'prep', 'configure' etc added
- support for version specific 'with_modules' files added
- bugfix in setting PMODULES_VERSION
- set PMODULES_VERSION to 0.99.5
- bugfix in setting PMODULES_VERSION
- added
- added
- do not source profiles
- modmanage.bash has been moved to libexec
- wrapper to make modulecmd relocatable
- renamed from 'modulecmd.in'
- moved to libexec
- sub-command load now  supports extended module names like Libraries:mpc/1.0.3
- cleanup
- cleanup
- install 'modulecmd.bash' and 'modmanage.bash' in libexec
- support for release in extendet module name added
- module() function cleanup
- build MANPATH from /etc/man.conf{ig}
- cleanup
- interupt handler added
- some simple fixes
- create Tools/modulefiles
- first code to handle dependencies added
- dependency resolution implemented
- ippl removed as dependency
- default is to compilw with OPAL 1.3.2
- add 'with_modules' for gcc 5.2
- define variants
- define variants
- namespace added to function, which should be replaced by
  functions from lib.bash
- function names refactored with namespace prefix 'std::'
- functions from lib.bash has namespace now
- refactor function names with a namespace
- refactor function names with namespace
- dependency resolution implemented for 'install' sub-command
- bugfix
- bugfix: namespace prefix added to abspath() call
- use /bin/sh in shebang
- unset BASH_ENV
- add missing namespace prefix to std::append_path() call
- pmodules.xyz() functions renamed to pbuild::xyz()
- use pbuild for bootstrapping components
- use pbuild
- new command 'modbuild' to build modules
- separate bootstrapping from other build-blocks
- review BASH libraries
- adapt build-blocks in bootstrapping
- remove versions for build-blocks we use for building Pmodules themself
- gcc/5.2.0 added
- openmpi/1.8.8 added
- gcc/5.1.0 removed
- gcc/5.2.0 added
- version 1.8.15-patch1 renamed to 1.8.15.1
- adapted to new build system
- reviewed
- cleanup
- move modulecmd.tcl only if build was successfull
- use modbuild in shebang
- refactore function calls
- use modbuild in shebang
- refactor function calls
- re-factor 'die()' function, new name is 'std::die()'
- bugfix in 'module use' with out args
- unused function is_released() removed
- run through each step of build if forced
- cleanup
- the name of the build-block must not be passed as first argument any more
- added
- bugfixes in sub-commands 'use' and 'unuse'
- usage() output reviewd
- targets are now options (--prep instead of prep, etc)
- better debug output in 'module-addgroup()'
- modulefiles added
- templates moved to ${module_group}/${PMODULES_TEMPLATE_DIR}
- handle options --help, --version in subcomand_help()
- path to Macports asciidoc added
- fix bug in handling --release option
- use system curl lib
- use system compiler
- variant definitions added
- compile in source tree
- build with JOBS=1, parallel build are failing
- added, replacing the 1.x.y/variants files
- added
- added
- added a first version
- added
- build shared libraries
- enable-asimage added to configure call
- potential problems with installation fixed
- use target LINUX-X86_64-PMODULES
- added
- install Oracle InstantClient libraries
- use new module procedures instead of 'set xyz'
- use Python 3.4, not anaconda
- don't buid shared libs
- jpeg support disabled
- compile with PIC
- use module-xxx procedures
- thread-safe enabled
- ${COMPILER} removed from build-dependencies
- build dependencies 'libungif' and 'tiff' are independend from OS
- added
- updated
- added
- doc files updated
- added
- reviewed
- change release of 6.1.0 to stable
- added
- adapted for version 4
- set release of versions 4.9.2 to deprecated
- set release of versions 5.{1,2}.x to deprecated
- declaration of dependencies moved to variants file
- building of Fortran API enabled
- building shared libs enabled
- building Python API enabled if major version >= 0
- added
- hdf5_serial 1.10.2 for intel/16.3
- patch required for Mac OS X 11 and Xcode 7
- variants for hdf5 1.8.16 and 1.8.17 added
- set variants for outdated compilers to deprecated
- patch of main configure added to fix assembler problems on Mac OS X and Xclode 7
- changed to new requirements
- setting dependencies in the build-block is now deprecated
- adapted to new format
- cleanup
- adapted to new format
- dependencies are now set in the variants-file
- use extended module commands
Conflicts:
	Compiler/openmpi/1.10/variants.Linux

Added gcc/6.2.0
- variants for boost 1.55.0 and 1.58.0 with gcc 4.8.5 and Python 2.7.11 added
- build shared *and* static libraries
- added
- build in source tree if major version is 1
- variant for hdf5/1.8.12 with gcc/4.8.5 and openmpi/1.8.8 added
- variants for hdf5/1.8.17 added
- added
- dependencies are now defined in the variants file
- added, work in progress
- do *not* pass release to build-block
- gcc/4.9.4 added
- no need to patch gcc 4.9.4
- added
- fixes for Pmodules version >= 0.99.6
- added
- use extended module commands
- added
- variant with gcc/4.8.5 added
- changes for Pmodules build system >= 0.99.6
- added
- variant for openmpi/1.8.8 with gcc/4.9.4 added
- don't build with Oracle instant client support on Mac OS
- changes required by Pmodule build system >= 0.99.6
- use extended modulefile commands
- added
- do not run autogen in pre-configure
- variant for H5hut/2.0.0rc2 with gcc/4.8.5 and openmpi/1.10.2 added
- variant for boost/1.61.0 with gcc/4.8.5 added
- compile without Python for the time being
- bugfix
- variant for gcc/4.8.5 added
- build shared libs
- export LDFLAGS and CPPFLAGS inside the functions
- new version
- variant for openmpi/1.10.2 with gcc/4.9.4 added
- variant for H5hut/2.0.0rc2 with gcc/4.8.5, openmpi/1.10.2 and hdf5/1.8.17 added
- adapt build block to new build environment
- use enhanced functions
- define dependencies here
- set dependencies removed, now done in variants file if required
- version for tiff changed to 4.0.6
- dependencies are now defined in 8/variants
- variant for gcc/6.2.0 added
- openmpi/1.10.4 added
- removed
- use openssl/1.0.2j
- problems with configuration fixed
- version added to cmake
- use cmake/3.4.1
- dependencies defined in variants file
- dependencies defined in variants file
- dependencies defined in variants file
- SOURCE_URL added
- SOURCE_URL added
- set dependencies in variants file
- change releases to stable for compiler gcc/6.1.0 anf gcc/6.2.0
- split into variants.Linux and variants.Darwin
- change release to stable for gcc/<=6.2.0 and openmpi/<=1.10.2
- parmetis/3.2.0 compiled with gcc/6.2.0 and openmpi/{1.10.4,2.0.1} added
- parmetis/4.0.3 compiled with gcc/6.2.0 and openmpi/{1.10.4,2.0.1} added
- trilinos/11.14.3 compiled with gcc/6.2.0 and openmpi/{1.10.4,2.0.1} added
- SOURCE_URL added
- define dependencies in variants file
- SOURCE_URL added
- export CXX (required on some systems=
- version 1.15 added
- version 3.6.3 added
- version 2.4.6 added
- H5hut_serial renamed to H5hut
- version 0.2.19 added
- set release to stable
- compile with gcc/4.8.5, 4.9.4, 5.4.0, 6.2.0 added
- variant with gcc/4.9.3 removed
- SOURCE_URL added
- set release of versions prior to 1.62.0 to stable
- boost/1.62.0 added for recent gcc's
- set release of versions < 1.15 to stable
- variants for gsl/1.16 added for recents gcc's
- set variants of versions < 1.10.4 to stable
- variants for version 1.10.4 added
- variants for version 5.34.36 added
- SOURCE_URL added
- added
- dependencies are now defined in variants file
- H5Hut_serial renamed to H5hut
- dependencies are now defined in variants files
- compile with vtkconverter disabled
- set release of version 2.7.11 to stable
- compile with -fPIC
- enable build of shared libraries
- new module for CUDA added
- change release of gcc/4.9.4 to stable
- release of version 5.4.0 changed to stable
- release of versions 6.1.0 and 6.2.0 changed to stable
- added
- variant for gcc/5.4.0 added
- pbuild::confinger(): use default 'Makefile.rule'
- fixes in make.inc
- support for version 5
- added
- variants for version 1.8.18 added
- adapt to new format
- variants for version 2.0.1 added
- use install(1) to install Oracle InstantClient libraries and header files
- mark version 6.04.10 as deprecated
- variants for 6.08.00 added
- variensts for version 2.0.0rc3 added
- variants for versions 2.0.0rc2 and 2.0.0rc3 added
- added
- DKS enabled
- dependencies are now defined in variants files
- build-block added
- variants for version 1.8.18 added
- cleanup releases of old versions
- SOURCE_URL fixed
- mark variants fo version 1.10.2 as stable
- variants for version 1.10.4 added
- added
- cleanup
- dependencies are defined in variant file
- cleanup
- dependencies are defined in variant files
- use extendet module functions
- disable libdl as TPL
- set ""USE_SIMPLE_THREADED_LEVEL3 = 1" in Makefile.rule
- patch Makefile.rule to use right MacOS X deployment target
- set release of version 1.8.18 to stable
- set release of 1.10.4 to stable for all compilers
- set release of version 1.10.4 to stable for all compilers
- set release of version 6.08.00 to stable for all GCC's
- variants for version 6.08.02 for GCC's added
- set release of version 1.8.18 to stable for all supported GCC's
- changes in white space
- adapt config for Darwin
- enable X11
- work-around problem with cmake and wrong path to root.exe
- work-around issue with empty functions and ld64 on Darwin
- bugfix in Darwin configuration
- run make with -j6
- apply patch PR57438 to GCC 6 as well as 5
- removed
- variants for gcc 6.3 added
- changed to current format
- snapshots added
- enable DKS on Linux only
- added
- review build-block
- deleted
- version 2.11.1 added
- use Pmodules procedures
- use Pmoduels procedures
-  build module for version 1.5.1-20170216 snapshot
- fix issue with Oracle Instant Client 12
- variants for versions 1.0.2 and 1.1.0 added
- compile version 1.1.0 with DKS_FULL=ON
- variants for 1.5.1-20170217 and 1.5.2 added
- compile with DKS enabled
- variant for 0.1.3-20170217 added
- install include files in sub-dir $PREFIX/include/gtest
- typo fixed
- moved to group Compiler
- set group to Compiler
- add gcc to variant
- compile without AVX and AVX2 due to problems on Mac
- fix SOURCE_URL
- SOURCE_URL added
- SOURCE_URL added
- new variant 1.0.3-2 added with current gmp and mpfr
- SOURCE_URL added
- unset MACOSX_DEPLOYMENT_TARGET
- use CMake for version 4.x.y
- fix in install metis.h
- add Macport's include dir to 'C_INCLUDE_PATH' if OS == Darwin
- add Macport's library dir to 'LIBRARY_PATH' if OS == Darwin
- both is a hack for X11 includes and libraries
- variant added for gcc 5.4.0 with current gmp, mpfr and mpc
- SOURCE_URL added
- if OS == Darwin: use Macports as, ld, ar, nm, otool etc
- variant for dks/1.1.1 added
- variant for OPAL 1.6.0rc1 added
- variant for OPAL/1.6.0rc1 added
- variant for version 2.1.0 removed
- variant for openmpi/2.1.0 with gcc/7.1.0 added
- download bz2 tarball
- release of version 2.11.1 changed to stable
- version 2.13.0 added
- use http in SOURCE_URL
- bugfix
- add '-DENABLE_DKS=ON' to cmake args on Linux
- version 0.1.4rc1 added
- version 1.6.0rc2 added
- pgrepro doesn't pass preprocessor tests
- pgc++ doesn't understand -pthread switch given to it by libtool
- gcc/5.4.0 variant added
- variant with gcc/5.4.0 added
- SOURCE_URL added
- quotes in module-help fixed
- type in procedure namce fixed
- variants with gcc/4.8.2, gcc/5.4.0 and gcc/7.1.0 added
- build-block added
- build-block added
- use array for OS dependend configureation args
- type fixed in comment
- variaant for version 8.0 with gcc/5.4.0 added
- SOURCE_URL fixed
- variants for OPAL 1.6.x added
- SOURCE_URL added
- bugfix in excludeing OPAL_PREFIX from auto-set
- fix for static CUDA and OPAL
- variant for dks/1.1.2 with gcc/5.4.0 added
- build-block added
- variant for gnuplot/5.0.4 removed
- SOURCE_URL added
- build-block added
- build-block added
- use variant files to specify dependencies
- use max SSE2
- SOURCE_URL added
- SOURCE_URL added
- Darwin specific configuration added
- set build type to RELEASE
- macOS pafch added
- variants added for version 12.10.1 with build type 'release'
- variant for parmetis/4.0.3 with gcc/4.8.2 added
- build-block added
- module for version 4.0.9
- use system BLAS on macOS
- module for version 25.3
- SOURCE_URL added
- build version 12.10.1-1 and newer with system BLAS
Use tar.gz source instead of bz2, because that's what gnu provides
- do not set CMAKE_OSX_SYSROOT and CMAKE_OSX_DEPLOYMENT_TARGET on macOS
- openmpi/1.10.7 build with CUDA support added
- openmpi/1.4.3 build with gcc/4.7.4 added
- build with CUDA support on Linux
- Python/3.6.3 added
- use pip${V_MAJOR} to compile modules
- Tcl/8.6.7 added
- binututils/2.29 added
- SOURCE_URL added
MPI/hdf5/1.10/variants -> variants.Linux
- version 0.2.20 with gcc/7.3.0 added
- version 1.66.0 with gcc/7.3.0 added
- version 2.4 with gcc/7.3.0 added
- file added
- source URL added
- version 1.10.7 with clang-macos/9.0.0 and with gcc/7.3.0 added
- version 6.12.06 with gcc/7.3.0 added
- version 2.0.0rc4 with gcc/7.3.0 added
- source URL added
- version 2.0.0rc4 with gcc/7.3.0 added
- source URL added to build block
- version 1.10.1 with clang-macos/9.0.0 + openmpi/1.10.7 and with gcc/7.3.0 + openmpi/1.10.7 added
- version 1.10.1 with gcc/7.3.0 added
- version 1.10.0 released as stable
- use array for for arguments passed to configure
- add support for Clang from Xcode (no Fortran!)
- version 4.0.3 with gcc/7.3.0 + openmpi/1.10.7 added
- version 12.12.1 with cc/7.3.0 + openmpi/1.10.7 + hdf5/1.10.1
- installation of mpi4py added
- Darwin build reviwed
- version 3.0.12 added
- source URL added
- added
- do not compile with CUDA support if gcc version is new then 5.4
- variants for version 2.1.2 and 3.0.0 with gcc/7.3.0 added
- we do not have to apply the CMakeList patch for Oracle Instantclient if root version is >= 6.12
- variants for hdf5/1.10.1 with gcc/7.3.0 and openmpi/1.10.7,2.1.2,3.0.0 added
- variants for version 4.0.3 with gcc/7.3.0 and openmpo/2.1.2,3.0.0 added
- Kokkos and MueLu enabled
- support for clang-macos added
- variants for version 0.2.20 with clang-macos/9.0.0 and intel/17.4
- variants for version 1.66.0 with clang-macos/9.0.0 and intel/17.4 added
- variants for version 2.4 with clang-macos/9.0.0 and intel/17.4 added
- variant for version 1.7.0 with gcc/7.3.0 added
- SOURCE_URL added
- buil-block reviewed
- variant for version  3.2.1 with intel/17.4 added
- variants added for versions 1.10.7, 2.1.2, 3.0.0 with intel/17.4 added
- variants added for version 2.0.0rc4 with
  gcc/7.3.0, clang-macos/9.0.0, intel/17.4
  openmpi/1.10.7, 2.1.2, 3.0.0
  hdf5/1.10.1
- dummy SOURCE_URL added
- variants added for version 1.10.1 with
  clang-macos/9.0.0, gcc/7.3.0
  openmpi/2.1.2, 3.0.0
- variants added for version 1.10.1 with
  intel/17.4
  openmpi/1.10.7, 2.1.2, 3.0.0; intel-mpi/17.4
- variants added for version 4.0.3 with
  clang-macos/9.0.0; intel/17.4
  openmpi/1.10.7, 2.1.2, 3.0.0
- variants added fo version 12.12.1 with
  gcc/7.3.0 intel/17.4
  openmpi/1.10.7, 2.1.2, 3.0.0
  hdf5/1.10.1
- release version 2.13.0 as stable
- version 2.16.2 added
- mpi4py removed
- variant for version 2.7.14 added
- use Modules perl, asciidoc and xmlto for building
- variant for version 1.0.2o added
- variant build with clang-macos/9.0.0 added
- variant for 2.0.0rc4 compiled with clang-macos/9.0.0 added
- compile without Fortran support if we use clang-macos
- release 1.6.1 as stable
- variant for 1.6.2 added
- fix SOURCE_URL
- variant for 12.12.1 compiled with clang-macos/9.0.0 added
- added Python/2.7.14 as build dependency
- SOURCE_URL fixed
- enable DKS on version < 2 only
- gcc/7.3.0 as supported compiler added
- release 1.62.0, 1.64.0, 1.66.0 and 1.67.0 as stable
- added variants: 1.66.0 with gcc/5.5.0,6.4.0 and 1.67.0 with gcc/5.5.0,6.4.0,7.3.0
- release version 2.2.1, 2.4 as stable
- version 2.4 with gcc/5.5.0, 6.4.0 added
- version 1.7.0 with gcc/5.5.0,6.4.0 added
- version 1.10.2 with gcc/5.5.0,6.4.0,7.3.0 and intel/18.2 added
- release old versions as stable
- fix SOURCE_URL in build script
- release 3.2.1 with intel/17.4 as stable
- variants added for gcc/5.5.0,6.4.0, 7.3.0 to versions 1.10.7,2.1.2,3.0.0
- version 2.1.3 and 3.0.1 with gcc/5.5.0,6.4.0,7.3.0 added
- version 6.12.06 with gcc/5.5.0,6.4.0 added
- versions < 6.12.06 released as stable
- try to install Oracle instant-client libs only if available
- do not compile pandas module
- release 5.26.1 as stable
- release 8.6.9 as stable
- first version of script to update releases according the variant files
- OpenBLAS, mpich, CUDA variants files moved to 'files' directory
- obsolete 'config/versions.conf' removed
- use use-flags for variant supporting OpenMP
- removed, merged with OpenBLAS module
- variant for version 3.10.3 with use-flag 'haswell' added
- use pbuild::set_download_url in build script
- use default configure function
- variant for version 1.68.0 with gcc/7.3.0 added
- variant for version 2.5 with gcc/7.3.0 added
- variant for version 1.10.2 with pgi/18.5 added
- build-script reviewed
- variant with use-flag 'merlin' added
- build-script reviewed
- variant for version 3.1.2 with gcc/7.3.0 added
- build-script reviewed
- variant for version 2.0.0rc4 with gcc/7.3.0, openmpi/3.1.2, hdf5/1.10.3 added
- build script reviewed, support for PGI compiler added
- vrariant for PFI compiler added
- build-script reviewed
- variant for version 4.6.1 with pgi/18.5, pgi-mpi/18.5, hdf5/1.10.1, parallel-netcdf/1.9.0
- build-script reviewed
- variant for version 1.9.0 with pgi/18.5, pgi-mpi/18.5, hdf5/1.10.1 added
- build-script reviewed
- variant for version 12.12.1 with gcc/7.3.0, openmpi/3.1.2, hdf5/1.10.3 added
- added
- added
- build-script reviewed
- build library with -fPIC
- variant 6.1.2-1 added
- added
- added
- build-script reviewed
- added
- release all variants for Darwin as stable
- variant added for version 1.10.1 with  pgi/18.5, pgi-mpi/18.5
- variant added for version 1.10.3 with gcc/7.3.0, openmpi/3.1.2
- variant added for version 1.10.3 with ntel/17.4, intel-mpi/17.4
- build-script reviewed
- build-script reviewed
- build-script reviewed
- variant for version 3.2.0 with gcc/7.3.0, openmpi/3.0.1 added
- variants for version 4.0.3 with gcc/7.3.0, openmpi/3.0.1,3.1.2 added
-added
- added
- added
- build-script reviewed
- shebang in modulefile fixed
- build-script reviewed
- variant for version 26.1 added
- added
- added
- added
- build-script reviewed
- build-script reviewed
- variant for version 9.2.148 added
# Conflicts:
#	Compiler/hdf5_serial/1/variants.Linux
#	Compiler/openmpi/3/variants.Linux
- build-script reviewed
- special variants file for maxOS required
- build-script reviewed
- check of hash-sum fixed in build-scripts
- build-script reviewed
- variant for version 2.19.1 added (but doesn't compile on macOS due to problems with xmlto)
- build-script reviewed
- added
- added
- reviewed
- reviewed
- build-script reviewed
- some strange comments removed in build-script
- reviewed
- build-block removed
config/Pmodules.conf removed
- build-script reviewed
- variants for gcc/73.0 and openmpi/3.1.3, mpich/3.3 added
- use system libcurl on all systems, otherwise https doesn't work
- URL in build script fixed
- new variant 2.4.6-1 with automake/1.16.1
- do not set CC to gcc
Fortran was not enabled by accident!
no build-block was available, README.md should be written
Create crYOLO module

See merge request !1
- build module on Merlin with appropriate use-flag
- 'blosc' is used as external project which requires AVX2
- set rpath in filter libs to ""
Not currently tested pending AFS volume creation.

Derives from EM/crYOLO.
'--enable-fortran2003' has been removed in 1.10
This would be better done in dependent modules.
- Update build script with best practices for variables, download
  location, etc.
- Format modulefile info
- Activate base environment by default
- More robust unloading script
- Minor Updates based on Achim's suggestions.
FFTW3

See merge request Pmodules/buildblocks!3
Anaconda

See merge request Pmodules/buildblocks!2
Resolve "replace set-family with module-addgroup in modulefile

Closes #5

See merge request Pmodules/buildblocks!4
Resolve "write dummy build-block for Clang on macOS"

Closes #6

See merge request Pmodules/buildblocks!5
Resolve "macOS: add openmpi/3.1.3 variant with clang-macos/10.0.1"

Closes #7

See merge request Pmodules/buildblocks!6
1.1.4 was accidentally upgraded and the old binary does not seem to be available,
so I have removed the 1.1.4 version
Cleaned up the build script a little too.
Resolve "gsl 2.5 with gcc 7.4.0 and 8.3.0"

Closes #8

See merge request Pmodules/buildblocks!7
Resolve "modules for mpich 3.3 with gcc/7.4.0 and gcc/8.3.0"

Closes #9

See merge request Pmodules/buildblocks!8
Resolve "build module for Perl 5.8"

Closes #10

See merge request Pmodules/buildblocks!9
Resolve "remove gettext from group System"

Closes #11

See merge request Pmodules/buildblocks!10
Resolve "Create new anaconda module"

Closes #13

See merge request Pmodules/buildblocks!11
added environments for jupyterhub and tensorflow

See merge request Pmodules/buildblocks!13
Resolve "new version of nmap"

Closes #15

See merge request Pmodules/buildblocks!15
gcc/9.2.0

See merge request Pmodules/buildblocks!17
Resolve "openmpi builds for merlin6 RHEL 7.6"

Closes #19

See merge request Pmodules/buildblocks!21
Resolve "getopt module: group not set in build-script"

Closes #22

See merge request Pmodules/buildblocks!23
Resolve "new variant xmlto with libxml2"

Closes #23

See merge request Pmodules/buildblocks!24
- use Macports xsltproc
- cp getopt from getopt module
Resolve "xmlto: use xsltproc from Macports and getopt from getopt module"

Closes #24

See merge request Pmodules/buildblocks!25
- based on stable_7Aug2019.tar.gz
Resolve "lammps needs to be recompiled with openmpi for merlin6/RHEL 7.6"

Closes #20

See merge request Pmodules/buildblocks!29
needed for cleanup in subshells
Resolve "unload of anaconda module failing in subshells"

Closes #27

See merge request Pmodules/buildblocks!30
Resolve "new variants for gsl for Linux"

Closes #28

See merge request Pmodules/buildblocks!31
- Single (sp) and double precision (dp) variants based on the use flags
- Add merlin & merlin6 flags to indicate that the software depends on
  merlin-specific architecture features (SSE and AVX)
- Depend on most recent OpenMPI compiled for merlin5/merlin6
Resolve "clang-macos: release version 9.0.0 as stable"

Closes #30

See merge request Pmodules/buildblocks!35
Resolve "cleanup gsl modules for macOS"

Closes #29

See merge request Pmodules/buildblocks!34
Resolve "new variant for perl"

Closes #26

See merge request Pmodules/buildblocks!28
Resolve "xz module"

Closes #14

See merge request Pmodules/buildblocks!14
Resolve "new build-block for combined Tcl/Tk"

Closes #16

See merge request Pmodules/buildblocks!16
Resolve "new variant for asciidoc"

Closes #25

See merge request Pmodules/buildblocks!26
Resolve "new build-block for libxml2"

Closes #18

See merge request Pmodules/buildblocks!20
Resolve "TclTk: fixes for macOS and RHEL6"

Closes #31

See merge request Pmodules/buildblocks!36
Resolve "Update python environments provided by anaconda/2019.07"

Closes #33

See merge request Pmodules/buildblocks!37
Resolve "TclTk: compile with --enable-share on Linux"

Closes #34

See merge request Pmodules/buildblocks!39
- use same configure args for Python 2 and Python 3 <= 3.6
- Tcl/Tk not found fixed
- lzma not found fixed
- install Tcl/Tk and OpenSSL libs in module
- TclTk and openssl are not required at run-time any more
- install system libffi in module, closes #32
Resolve "new Python variants"

Closes #32 and #17

See merge request Pmodules/buildblocks!19
Resolve "new variant for asciidoc"

Closes #25

See merge request Pmodules/buildblocks!38
Resolve "xmlto: use xsltproc from Macports and getopt from getopt module"

Closes #24

See merge request Pmodules/buildblocks!41
Resolve "new git variants"

Closes #21

See merge request Pmodules/buildblocks!22
one should not mix tcl cleaning with bash fragments written to
stdout, if the modify the same state variables.
Resolve "fix unloading of anaconda environments (mixing bash & tcl in unloader)"

Closes #36

See merge request Pmodules/buildblocks!42
fixing erroneous statement left from debugging

Closes #36

See merge request Pmodules/buildblocks!43
Resolve "zlib: version 1.2.11 for RHEL6 and macOS10.14"

Closes #38

See merge request Pmodules/buildblocks!45
Resolve "gcc: review build script, fix to compile gcc 8.3.0 on macOS"

Closes #40

See merge request Pmodules/buildblocks!46
Resolve "boost: review build script"

Closes #37

See merge request Pmodules/buildblocks!44
Resolve "boost: cleanup variants files for RHEL6 and macOS10.14"

Closes #41

See merge request Pmodules/buildblocks!47
Resolve "OPAL: cleanup variants for Linux/RHEL6"

Closes #42

See merge request Pmodules/buildblocks!48
Resolve "OPAL: release version 2.0.2 for Linux as stable"

Closes #43

See merge request Pmodules/buildblocks!49
The binary build lives in Tools/NAMD; the source build will be
in MPI/NAMD.
Switched the non-gpu variant to the non-cuda version
Add NAMD module

See merge request Pmodules/buildblocks!51
- versions 5.2.6 and 5.2.7 released as stable
Resolve "gnuplot: new versions 5.2.6, 5.2.7"

Closes #48

See merge request Pmodules/buildblocks!52
Resolve "gsl: new variant: version 2.5 with intel/19.4 for RHEL6"

Closes #49

See merge request Pmodules/buildblocks!53
Resolve "impi: new build-block for impi"

Closes #50

See merge request Pmodules/buildblocks!56
Resolve "cuda: release versions as stable"

Closes #51

See merge request Pmodules/buildblocks!59
Resolve "cuda: release versions as stable"

Closes #51

See merge request Pmodules/buildblocks!60
Resolve "libxc: new build-block"

Closes #39

See merge request Pmodules/buildblocks!50
Resolve "libxsmm: new build-block"

Closes #44

See merge request Pmodules/buildblocks!55
Resolve "libint: new build-block"

Closes #45

See merge request Pmodules/buildblocks!54
# Conflicts:
#   MPI/elpa/files/variants.rhel6
Resolve "elpa: new build-block"

Closes #46

See merge request Pmodules/buildblocks!57
Resolve "libxc: fix permissions of build script"

Closes #52

See merge request Pmodules/buildblocks!61
Gromacs gpu

See merge request Pmodules/buildblocks!32
Deploy fftw/3.3.8-1

See merge request Pmodules/buildblocks!33
Builds from source based on git.

Currently only gcc/7.4.0 is used. Better performance is reported with
intel icc and MKL, but this would require additional openmpi variants.

Variants for 3.0.8 and 3.1-beta (780dd7b) are installed.
Resolve "gcc/9.2.0: build new version"

Closes #53

See merge request Pmodules/buildblocks!67
Resolve "isl: new build-block"

Closes #54

See merge request Pmodules/buildblocks!68
Resolve "gtest: build new variants for 1.8.1 with gcc/{5.5.0,6.4.0,7.4.0,8.3.0,9.2.0}"

Closes #55

See merge request Pmodules/buildblocks!69
Resolve "OpenBLAS: new variants for version 0.3.7"

Closes #56

See merge request Pmodules/buildblocks!70
Resolve "gsl: build version 2.6 with current gcc versions"

Closes #57

See merge request Pmodules/buildblocks!71
Add relion build script.

See merge request Pmodules/buildblocks!64
Version 2019.03 was an alpha version but got deployed. This updates it
to use the current modulefile.
Update anaconda buildblock to latest deployment

See merge request Pmodules/buildblocks!65
Resolve "openmpi: bugfixes in build-script"

Closes #58

See merge request Pmodules/buildblocks!72
Resolve "openmpi: cleanup variants files"

Closes #59

See merge request Pmodules/buildblocks!73
Resolve "amex: build 18.07_{2,3}d with gcc/7.4.0 and openmpi/3.1.4"

Closes #60

See merge request Pmodules/buildblocks!74
Resolve "amex: release modules as stable"

Closes #61

See merge request Pmodules/buildblocks!75
Resolve "boost: release 1.70.0 with gcc/7.3.0, openmpi/3.1.3 as stable"

Closes #62

See merge request Pmodules/buildblocks!76
Resolve "boost: build 1.70.0 with gcc/7.4.0 openmpi/3.1.4"

Closes #63

See merge request Pmodules/buildblocks!77
Resolve "dks: new variants for 1.1.2"

Closes #64

See merge request Pmodules/buildblocks!78
on mail request by virginie.solans@psi.ch
We should be able to build our own anaconda packages in a centrally
provided environment.
Resolve "update anaconda envs for xlrd, jupytext, conda-build"

Closes #65

See merge request Pmodules/buildblocks!79
Installation is highly manual. This documents the MotionCor2
installation procedure and automates shared file installation.

Adds 1.2.6 and 1.3.0 variants.
Add MotionCor2 build script

See merge request Pmodules/buildblocks!80
Loading anaconda as an admin on an Auristor system produces a
reminder not to install anything
Add warning in modulefile for admins

See merge request Pmodules/buildblocks!81
Update cryocare environment to work on GPU

See merge request Pmodules/buildblocks!83
Add hdf5storage to datascience_* environments

See merge request Pmodules/buildblocks!84
CrYOLO/1.5.6

See merge request Pmodules/buildblocks!86
These set many defaults, including external tool paths and GUI
configuration options
Add RELION environmental variables to modulefile

See merge request Pmodules/buildblocks!87
Resolve "build new GCC versions"

Closes #68

See merge request Pmodules/buildblocks!88
There are _cpu and _gpu flags available, which are selected based on
fancy modulefile code (Thanks Achim)
CrYOLO/1.6.1 modules

See merge request Pmodules/buildblocks!92
Resolve "build VTK 8.2.0 modules"

Closes #71

See merge request Pmodules/buildblocks!93
Resolve "OpenBLAS 0.3.9 and 0.3.10"

Closes #72

See merge request Pmodules/buildblocks!94
Resolve "build boost/1.73 (serial)"

Closes #73

See merge request Pmodules/buildblocks!95
Resolve "build gsl/2.6 with current GCCs"

Closes #74

See merge request Pmodules/buildblocks!96
Resolve "build gtest/1.10.0"

Closes #75

See merge request Pmodules/buildblocks!97
Resolve "build mpich/3.3.2"

Closes #76

See merge request Pmodules/buildblocks!98
Resolve "build openmpi/3.1.6"

Closes #77

See merge request Pmodules/buildblocks!99
Resolve "cleanup H5hut"

Closes #78

See merge request Pmodules/buildblocks!100
Resolve "H5hut: build version 2.0.0rc6 for current GCCs, openmpi and hdf5"

Closes #79

See merge request Pmodules/buildblocks!101
Resolve "trillions/12.18.1: build modules"

Closes #80

See merge request Pmodules/buildblocks!102
Resolve "lapack/3.9.0: new build-block"

Closes #81

See merge request Pmodules/buildblocks!103
Resolve "amex/18.07_3d: build with current GCCs and openmpi"

Closes #82

See merge request Pmodules/buildblocks!104
Resolve "boost/1.7[03].0: build modules"

Closes #83

See merge request Pmodules/buildblocks!105
Resolve "elegant/2020.2.0: build module, review build-block"

Closes #84

See merge request Pmodules/buildblocks!106
Add relion 3.1.0

See merge request Pmodules/buildblocks!107
Resolve "hdf5/1.10.6: build with current GCCs and openmpi for rhel6 and merlin6"

Closes #85

See merge request Pmodules/buildblocks!108
Resolve "parmetis/4.0.3: build with current GCCs and openmpi"

Closes #86

See merge request Pmodules/buildblocks!109
Resolve "openssl/1.1.1g build"

Closes #87

See merge request Pmodules/buildblocks!110
- no need to run get-pip.py
- prepend to PATH and LD_LIBRARY_PATH not append
- set CFLAFS too (same as CPPFLAFS)
Resolve "fixes in Python build-script"

Closes #88

See merge request Pmodules/buildblocks!111
Resolve "Python/{2.7.18,3.7.8,3.8.4}: build modules"

Closes #89

See merge request Pmodules/buildblocks!113
- pbuild::make_all must not be called
Resolve "emacs fix in build-script"

Closes #90

See merge request Pmodules/buildblocks!112
Resolve "emacs/26.3"

Closes #93

See merge request Pmodules/buildblocks!114
Resolve "gnuplot/5.2.8 build"

Closes #92

See merge request Pmodules/buildblocks!115
The script is based off the scicat_client-0.1.0 anaconda environment.
Conda does not need to be activated to run, so the pmodule simple
symlinks the entrypoint to the module bin.
Add scicat_client to the datacatalog module

See merge request Pmodules/buildblocks!118
# Conflicts:
#   Compiler/openmpi/modulefile
OpenMPI slurm series

See merge request Pmodules/buildblocks!91
Update QE: 6.5

See merge request Pmodules/buildblocks!116
cuda/10.1.105

See merge request Pmodules/buildblocks!117
Added Gromacs 2020.2

See merge request Pmodules/buildblocks!90
Lammps

See merge request Pmodules/buildblocks!119
IOR 3.2.1

See merge request Pmodules/buildblocks!120
Java

See merge request Pmodules/buildblocks!121
Java module to stable

See merge request Pmodules/buildblocks!122
OpenMPI v4.0.4 to stable. v3.1.4 to deprecated

See merge request Pmodules/buildblocks!123
Resolve "commit docu about required permissions for anaconda modules"

Closes #94

See merge request Pmodules/buildblocks!124
Resolve "Tool and recipe for installing jupyter kernel wrappers"

Closes #95

See merge request Pmodules/buildblocks!125
late commit of implementation from Feb 2020
Resolve "Add hep_root environment"

Closes #96

See merge request Pmodules/buildblocks!126
Update anaconda README.md with information on logging

See merge request Pmodules/buildblocks!127
Mark relion/3.1.0 as stable

See merge request Pmodules/buildblocks!128
This broke anaconda because the CONDA_PREFIX is not defined.
Better to setup conda directly in the modulefile.
Resolve "Tool and recipe for installing jupyter kernel wrappers"

Closes #95

See merge request Pmodules/buildblocks!131
Reverting bad conda_setup script

See merge request Pmodules/buildblocks!130
Add new 'topaz' environment for EM

See merge request Pmodules/buildblocks!129
Resolve "Make anaconda 2019/07 finally stable"

Closes #97

See merge request Pmodules/buildblocks!132
Resolve "hdf5 serial 1.10.6"

Closes #98

See merge request Pmodules/buildblocks!133
Resolve "release boost 1.73 as stable"

Closes #99

See merge request Pmodules/buildblocks!134
Resolve "gsl: build version 2.6 GCC 10.2"

Closes #100

See merge request Pmodules/buildblocks!135
- reviewed configuration
Resolve "mpich: build version 3.3.2 with current GCCs"

Closes #101

See merge request Pmodules/buildblocks!136
Resolve "H5hut: release 2.0.0rc6 parallel as stable"

Closes #102

See merge request Pmodules/buildblocks!137
Resolve "trilinos: release 12.18.1 as stable"

Closes #103

See merge request Pmodules/buildblocks!138
- AMR and AMR_MG_SOLVER are now enabled
Resolve "patchelf: review build script"

Closes #105

See merge request Pmodules/buildblocks!140
- requires the patch 'gcc-10.2.0-cpp-__has_include.patch'
Resolve "gcc: build version 10.2"

Closes #106

See merge request Pmodules/buildblocks!141
Resolve "parmetis: release 4.0.3 as stable"

Closes #107

See merge request Pmodules/buildblocks!142
Resolve "hdf5: release version 1.10.6 parallel as stable"

Closes #108

See merge request Pmodules/buildblocks!143
- new variants with current GCCs and openmpi/4.0.5_slurm
- variants with current GCCs and openmpi/3.1.6_slurm released as stable
Resolve "boost: new variants for version 1.73.0"

Closes #109

See merge request Pmodules/buildblocks!144
Resolve "amrex/18.07_3d: release as stable"

Closes #110

See merge request Pmodules/buildblocks!145
Resolve "clang: write build-block"

Closes #111

See merge request Pmodules/buildblocks!146
Resolve "uncrustify: new build-block"

Closes #112

See merge request Pmodules/buildblocks!147
Resolve "MITHRA: new build block"

Closes #113

See merge request Pmodules/buildblocks!148
Resolve "MITHRA use source from Arya"

Closes #114

See merge request Pmodules/buildblocks!149
No new versions were installed, but this documents the build process and
updates the modulefile.
No new versions were installed, but this documents the build process and
updates the modulefile.
New EM versions

See merge request Pmodules/buildblocks!150
openmpi/4.0.5_slurm

See merge request Pmodules/buildblocks!151
Added Paraview automatic installation

See merge request Pmodules/buildblocks!152
Removed Paraview 5.8.0 (was not installed)

See merge request Pmodules/buildblocks!153
Resolve "build gnuplot/5.4.0module for Linux"

Closes #115

See merge request Pmodules/buildblocks!154
No new versions are available
Update build

See merge request Pmodules/buildblocks!156
Add cisTEM modulefile

See merge request Pmodules/buildblocks!155
Initial dynamo/1.1.514 buildblock

See merge request Pmodules/buildblocks!157
Fix dynamo license in modulefile

See merge request Pmodules/buildblocks!158
Openmpi4.0.5 prod

See merge request Pmodules/buildblocks!159
These are pretty well tested via relion. There was a slight question
about 11.0.3 with kokkos, but it seems to be specific to that package.
- Add relion/2.1 with openmpi/4.0.4_slurm
- Add relion/3.0.8-1 with openmpi/4.0.5_slurm
- Mark 3.1.0-1 and 3.1.1 as stable
- Deprecate all older versions (betas and versions with openmpi/3.1.4
  and older, which don't work with the current configuration)
Relion: new versions and deprecations

See merge request Pmodules/buildblocks!160
Resolve "OpenBLAS 0.3.13"

Closes #117

See merge request Pmodules/buildblocks!161
Resolve "git 2.30.0 for rhel6"

Closes #118

See merge request Pmodules/buildblocks!162
Resolve "cmake: build version 3.19.2"

Closes #119

See merge request Pmodules/buildblocks!163
- build without sge suppotz
- use UCX module
Resolve "openmpi: version 4.0.5"

Closes #120

See merge request Pmodules/buildblocks!164
Resolve "hdf5 version 1.10.7 for rhel6"

Closes #121

See merge request Pmodules/buildblocks!165
Resolve "hdf5: 1.12.0 for rhel7"

Closes #122

See merge request Pmodules/buildblocks!166
Resolve "ucx build new module"

Closes #124

See merge request Pmodules/buildblocks!168
Resolve "trilinos: deprecate all modules build with openmpi/1 and 2"

Closes #123

See merge request Pmodules/buildblocks!167
This reverts commit 5a18cbc5b5.
Added CUDA_PATH, updating PModule repositories.

See merge request Pmodules/buildblocks!170
- all variants build with openmpi 1 and 2
- all openmpi variants with version 3.1.5 and older
Resolve "parmetis: deprecate all modules build with openmpi 1 or 2"

Closes #125

See merge request Pmodules/buildblocks!169
Resolve "parallel-netcdf: deprecate variants build with openmpi prior to 3.1.6"

Closes #126

See merge request Pmodules/buildblocks!172
UCX 1.9.0

See merge request Pmodules/buildblocks!171
Resolve "hdf5_serial: build modules for version 1.10.7 and 1.12.0"

Closes #127

See merge request Pmodules/buildblocks!173
Resolve "netcdf: deprecate all variants build with retired openmpi versions"

Closes #128

See merge request Pmodules/buildblocks!174
Resolve "ippl: remove all 1.1.4 variants"

Closes #129

See merge request Pmodules/buildblocks!175
Resolve "hdf5: deprecate all variants build with openmpi <= 3.1.5"

Closes #130

See merge request Pmodules/buildblocks!176
Resolve "elegant: deprecate old versions"

Closes #131

See merge request Pmodules/buildblocks!177
Resolve "boost: deprecate variants build with openmpi <= 3.1.5"

Closes #132

See merge request Pmodules/buildblocks!178
Resolve "Boxlib: deprecate all variants build with openmpi <= 3.1.5"

Closes #133

See merge request Pmodules/buildblocks!179
Resolve "amrex: deprecate all variants build with openmpi <= 3.1.5"

Closes #134

See merge request Pmodules/buildblocks!180
Resolve "H5hut: deprecate all variants build with openmpi <= 3.1.5"

Closes #135

See merge request Pmodules/buildblocks!181
Resolve "OPAL: deprecate all version < 2.0.0"

Closes #136

See merge request Pmodules/buildblocks!182
Resolve "SUperLU_DIST: deprecate all variants build with openmpi <= 3.1.5"

Closes #137

See merge request Pmodules/buildblocks!183
Resolve "SuperLU_DIST: deprecate variants build with old Intel compiler"

Closes #138

See merge request Pmodules/buildblocks!184
Resolve "dks: deprecate all variants build with openmpi <= 3.1.5"

Closes #139

See merge request Pmodules/buildblocks!185
3.1.1-1 is compiled against cuda-aware openmpi/4.0.5_slurm (CUDA
11.0.3), which fixes some bugs
Added openmpi/4.0.5_slurm with cuda/11.0.3

See merge request Pmodules/buildblocks!187
Resolve "SuperLU_DIST: remove variants with ancient openmpi versions"

Closes #140

See merge request Pmodules/buildblocks!186
Relion 3.1.2 and 3.1.1-1

See merge request Pmodules/buildblocks!188
Cuda README + CUDA 11.2.2

See merge request Pmodules/buildblocks!189
KNEM generic

See merge request Pmodules/buildblocks!190
Ucx v1.9.0

See merge request Pmodules/buildblocks!191
NVIDIA GDRCopy

See merge request Pmodules/buildblocks!192
Added GDRCOPY with cuda 11.2.2

See merge request Pmodules/buildblocks!193
Added GDRCOPY

See merge request Pmodules/buildblocks!194
Add conda mxarchive environment

See merge request Pmodules/buildblocks!196
Added OpenMPI DGX

See merge request Pmodules/buildblocks!195
UCX

See merge request Pmodules/buildblocks!197
Added 2020.4

See merge request Pmodules/buildblocks!198
UCX + OpenMPI

See merge request Pmodules/buildblocks!199
Paraview 5.9.0

See merge request Pmodules/buildblocks!200
unstable->stable:cuda/11.2.2|new->unstable:cuda/11.3.0

See merge request Pmodules/buildblocks!201
Add UCX 1.10.0_slurm

See merge request Pmodules/buildblocks!202
Resolve "build gmp/6.2.1"

Closes #141

See merge request Pmodules/buildblocks!203
Resolve "mpfr: compile with PIC"

Closes #142

See merge request Pmodules/buildblocks!204
Resolve "mpc: use Libraries can be removed"

Closes #143

See merge request Pmodules/buildblocks!205
Resolve "mpc: new version 1.2.1"

Closes #144

See merge request Pmodules/buildblocks!206
Resolve "gcc: release 10.2.0 as stable"

Closes #145

See merge request Pmodules/buildblocks!207
Resolve "gcc: build module for version 10.3.0"

Closes #146

See merge request Pmodules/buildblocks!208
Resolve "clhep"

Closes #147

See merge request Pmodules/buildblocks!209
Resolve "clhep: fix url in build-script"

Closes #148

See merge request Pmodules/buildblocks!210
Resolve "gtest: release as stable and build with gcc/10.3.0"

Closes #149

See merge request Pmodules/buildblocks!211
Resolve "boost: cleanup  build-script"

Closes #150

See merge request Pmodules/buildblocks!212
Resolve "boost: new variants for current GCC's"

Closes #151

See merge request Pmodules/buildblocks!213
Resolve "boost: build 1.73.0 for dgx"

Closes #152

See merge request Pmodules/buildblocks!214
Resolve "fftw: new version 3.3.9"

Closes #153

See merge request Pmodules/buildblocks!215
Resolve "emacs: new version 27.2"

Closes #154

See merge request Pmodules/buildblocks!216
Resolve "gnuplot: new version 5.4.1"

Closes #155

See merge request Pmodules/buildblocks!217
Resolve "kokkos: new build block"

Closes #156

See merge request Pmodules/buildblocks!218
Resolve "bash: new build-block"

Closes #157

See merge request Pmodules/buildblocks!219
Resolve "python env with Ray and ML software for Adelmann"

Closes #158

See merge request Pmodules/buildblocks!220
Added Qt5

See merge request Pmodules/buildblocks!221
Ansys2020 r2

See merge request Pmodules/buildblocks!223
Fix dependency problem in relion/3.0.8-1

See merge request Pmodules/buildblocks!224
New Module: aria2

See merge request Pmodules/buildblocks!225
Added openmpi/4.0.5-2_slurm and UCX 1.11

See merge request Pmodules/buildblocks!226
Add relion 3.1.3 and 4.0-beta

See merge request Pmodules/buildblocks!227
- Improves the build system to install the submission scripts in bin
- Add README
Alphafold buildblock

See merge request Pmodules/buildblocks!228
OpenMPI and related software lifecycling

See merge request Pmodules/buildblocks!229
openmpi/4.0.4_slurm to deprecated

See merge request Pmodules/buildblocks!232
Resolve "binutils 2.37"

Closes #161

See merge request Pmodules/buildblocks!231
Resolve "OpenBLAS 0.3.15"

Closes #162

See merge request Pmodules/buildblocks!233
Resolve "gromacs: deprecate major versions 4 and 5"

Closes #165

See merge request Pmodules/buildblocks!236
Resolve "cpmd: deprecate version 3.17.1"

Closes #166

See merge request Pmodules/buildblocks!237
Resolve "gromacs: deprecate versions build with openmpi prior to 3.1.6"

Closes #167

See merge request Pmodules/buildblocks!238
Resolve "ioapi: deprecate all modules with version 3.2"

Closes #168

See merge request Pmodules/buildblocks!239
Resolve "fftw: deprecate all modules build with openmpi 3"

Closes #169

See merge request Pmodules/buildblocks!240
Resolve "lammps: deprecate all modules build with openmpi 3 and older"

Closes #170

See merge request Pmodules/buildblocks!241
Resolve "qe: deprecate modules build with openmpi 3"

Closes #171

See merge request Pmodules/buildblocks!242
Resolve "hdf5: deprecate modules build with openmpi 3 and older"

Closes #172

See merge request Pmodules/buildblocks!243
Resolve "openmpi: deprecate old versions"

Closes #164

See merge request Pmodules/buildblocks!235
Resolve "openssl: build 1.1.1l and review release stages"

Closes #176

See merge request Pmodules/buildblocks!247
Resolve "Python: add virtualenv and review release stages"

Closes #175

See merge request Pmodules/buildblocks!246
Resolve "clang: change release state of 12.0.0_rhel7 to stable"

Closes #174

See merge request Pmodules/buildblocks!245
Resolve "boost(without MPI): 1.76.0 for clang and other compilers"

Closes #163

See merge request Pmodules/buildblocks!234
Resolve "gnuplot: review release stages"

Closes #177

See merge request Pmodules/buildblocks!248
Resolve "m4: build new module for version 1.4.19"

Closes #178

See merge request Pmodules/buildblocks!249
Resolve "libevent: review release stages"

Closes #179

See merge request Pmodules/buildblocks!250
Resolve "tmux: review build scripts and new module for version 3.2"

Closes #180

See merge request Pmodules/buildblocks!251
Resolve "patchelf: new version"

Closes #181

See merge request Pmodules/buildblocks!252
Resolve "cmake: build module for version 3.20.5"

Closes #182

See merge request Pmodules/buildblocks!253
Resolve "git: new module for version 2.33.1"

Closes #183

See merge request Pmodules/buildblocks!254
Resolve "doxygen: build module for version 1.9.2"

Closes #184

See merge request Pmodules/buildblocks!255
Resolve "gsl: new variants, review release stages"

Closes #185

See merge request Pmodules/buildblocks!256
Resolve "uxc: review release stage for variants not build with slurm support"

Closes #187

See merge request Pmodules/buildblocks!258
Resolve "openmpi: review build script and release stages"

Closes #186

See merge request Pmodules/buildblocks!257
Resolve "root: build module with new version 6.24.06 and review release stage"

Closes #188

See merge request Pmodules/buildblocks!259
Resolve "parmetis: new variants"

Closes #189

See merge request Pmodules/buildblocks!260
- compile without Fortran
- apply patch for datatype handling
Resolve "amrex: review"

Closes #190

See merge request Pmodules/buildblocks!261
Resolve "hdf5: build modules for 1.10.7 with gcc/10.3.0 and openmpi/4.0.5"

Closes #191

See merge request Pmodules/buildblocks!262
Resolve "H5hut: new modules for 2.0.0rc6 with gcc/10.3.0 and openmpi/4.0.5"

Closes #192

See merge request Pmodules/buildblocks!263
Resolve "H5hut(serial): review release stages"

Closes #193

See merge request Pmodules/buildblocks!264
Resolve "trilinos: enable MueLu"

Closes #194

See merge request Pmodules/buildblocks!265
Resolve "OpenBLAS: review variants"

Closes #196

See merge request Pmodules/buildblocks!267
Resolve "trilinos: build modules for 13.0.1"

Closes #195

See merge request Pmodules/buildblocks!266
Resolve "MITHRA: review variants"

Closes #197

See merge request Pmodules/buildblocks!268
Resolve "OPAL: review build-script"

Closes #199

See merge request Pmodules/buildblocks!270
Resolve "boost(parallel): review versions and release stages"

Closes #200

See merge request Pmodules/buildblocks!271
Resolve "OPAL: review release stages"

Closes #198

See merge request Pmodules/buildblocks!269
Resolve "nasm: build module for version 2.15.05"

Closes #201

See merge request Pmodules/buildblocks!272
Resolve "nasm: 2.15.05 change release stage to stable"

Closes #203

See merge request Pmodules/buildblocks!274
Resolve "x264: new module for version 2021.06"

Closes #202

See merge request Pmodules/buildblocks!273
Resolve "ffmpeg: build module for version 4.4"

Closes #204

See merge request Pmodules/buildblocks!275
Resolve "amrex: add missing patch file"

Closes #205

See merge request Pmodules/buildblocks!276
Resolve "bison: new module for version 3.8.2"

Closes #206

See merge request Pmodules/buildblocks!277
Resolve "alsa-lib: new module for version 1.2.5.1"

Closes #207

See merge request Pmodules/buildblocks!278
Resolve "liba53: new module for version 0.7.4"

Closes #208

See merge request Pmodules/buildblocks!279
Resolve "live555: new module for version 2021.06.29"

Closes #209

See merge request Pmodules/buildblocks!280
UCX: moving releases to stable and deprecated

See merge request Pmodules/buildblocks!282
Update README.md

See merge request Pmodules/buildblocks!283
Update README.md

See merge request Pmodules/buildblocks!284
Update README.md

See merge request Pmodules/buildblocks!285
Update README.md

See merge request Pmodules/buildblocks!286
Add UCX 1.11.2

See merge request Pmodules/buildblocks!287
Add OpenMPI 4.1.1 (gcc-10.2.0,ucx-1.11.2,cuda-11.3.0)

See merge request Pmodules/buildblocks!288
OpenMPI 4.1.1 with UCX 1.10

See merge request Pmodules/buildblocks!289
Alphafold/2.1.1 with multimer support!

See merge request Pmodules/buildblocks!291
Update README.md

See merge request Pmodules/buildblocks!292
Openmpi 4.0.5 cuda 10.4

See merge request Pmodules/buildblocks!293
Restore: Libraries UCX 1.11.2_slurm, which was deleted by mistake

See merge request Pmodules/buildblocks!294
These changes have already been applied by hand.
Ansys

See merge request Pmodules/buildblocks!296
Update ansys

See merge request Pmodules/buildblocks!297
Mark psi-python as conflicting with anaconda.

See merge request Pmodules/buildblocks!295
New module: modelcraft

See merge request Pmodules/buildblocks!298
1.2.3 was based on miniconda and should be removed in the future
Deprecating crYOLO/1.2.3 and moving other versions to stable

See merge request Pmodules/buildblocks!299
Update README.md

See merge request Pmodules/buildblocks!303
Add ucx/1.11.2-3_slurm with cuda/11.1.0

See merge request Pmodules/buildblocks!305
Move `unstable` releases to `stable`
Add new v1.12.1 with CUDA v11.5.1
Moved v4.0.7 releases from `unstable` to `stable`
Added new v4.1.3 with CUDA v1.5.1 and UCX v1.12.1
UCX, CUDA and OpenMPI update

See merge request Pmodules/buildblocks!310
Update README.md

See merge request Pmodules/buildblocks!311
Update README.md

See merge request Pmodules/buildblocks!312
HDF5+NetCDF with openmpi 4.1.3

See merge request Pmodules/buildblocks!313
Fix libnvidia-ml

See merge request Pmodules/buildblocks!319
Update LIBRARY_PATH,C_INCLUDE_PATH,CPLUS_INCLUDE_PATH

See merge request Pmodules/buildblocks!323
Add ORCA 5.0.3

See merge request Pmodules/buildblocks!326
the old eigen3 modules are discontinued
Eigen installs header files by default in
${EIGEN_INCLUDE_DIR}/eigen3.
Proteus v1.4.0 as the first version in PModules
Directly dependency with ROOT software. Required also Eigen (Pmodule) when
compiling, Doxygen (PModule) and Sphinx (python-sphinx as local package)
for building the documentation.
New Proteus module

See merge request Pmodules/buildblocks!327
Also compiled dependencies: openmpi/4.1.3_slurm, boost/1.79.0_slurm.
New Scalapack 2.2.1-1 module

See merge request Pmodules/buildblocks!328
Resolve "krb5: new Pmodule for MIT Kerberos5"

Closes #229

See merge request Pmodules/buildblocks!329
Resolve "bash/5.1.16 new module"

Closes #226

See merge request Pmodules/buildblocks!321
Resolve "cmake/3.23.3"

Closes #227

See merge request Pmodules/buildblocks!322
Resolve "patchelf/0.14.5"

Closes #228

See merge request Pmodules/buildblocks!325
Resolve "ioapi/3.2 with gcc/11.2.0 openmpi/4.1.3_slurm, hdf5/1.13.1_slurm"

Closes #225

See merge request Pmodules/buildblocks!320
Resolve "gcc/11.2"

Closes #216

See merge request Pmodules/buildblocks!306
Resolve "eigen3/3.3.8 and 3.4.0 for current compilers"

Closes #221

See merge request Pmodules/buildblocks!315
Resolve "Pmodule for wxWidgets"

Closes #212

See merge request Pmodules/buildblocks!300
Resolve "new module for Erlang"

Closes #213

See merge request Pmodules/buildblocks!301
Resolve "elegant 2021.4 with oagtcl"

Closes #223

See merge request Pmodules/buildblocks!317
Resolve "tiff 4.3.0"

Closes #224

See merge request Pmodules/buildblocks!318
Resolve "openssl versions 1.1.1m and 1.1.1q"

Closes #230

See merge request Pmodules/buildblocks!330
Resolve "Python: build 3.9.10"

Closes #231

See merge request Pmodules/buildblocks!331
Resolve "fftw/3.3.10 with open-mpi"

Closes #233

See merge request Pmodules/buildblocks!333
Resolve "gnuplot/5.4.3"

Closes #214

See merge request Pmodules/buildblocks!302
Resolve "OpenBLAS/0.3.20"

Closes #232

See merge request Pmodules/buildblocks!332
Resolve "lapack/3.9.0 with gcc/10.3 and lapack/3.10.0"

Closes #218

See merge request Pmodules/buildblocks!308
Resolve "hdf5_serial: version 1.10.7 and newer for gcc 10.3.0 and newer"

Closes #220

See merge request Pmodules/buildblocks!314
Resolve "krb5: new Pmodule for MIT Kerberos5"

Closes #229

See merge request Pmodules/buildblocks!334
Resolve "gsl/2.7: build for current GCC's"

Closes #234

See merge request Pmodules/buildblocks!335
Resolve "fluka/flair module"

Closes #215

See merge request Pmodules/buildblocks!304
Scalapack

See merge request Pmodules/buildblocks!339
Resolve "slsDetectorPackage: build new module"

Closes #237

See merge request Pmodules/buildblocks!338
Add new file

See merge request Pmodules/buildblocks!340
Resolve "git/2.37"

Closes #235

See merge request Pmodules/buildblocks!336
Resolve "zmq: build new module"

Closes #236

See merge request Pmodules/buildblocks!337
Add boost with impi/22.1. Move bvalidated boost versions to stable (and dependencies)

See merge request Pmodules/buildblocks!342
Added BOOST_ROOT  inmodulefiles

See merge request Pmodules/buildblocks!346
ANSYS: 2022R1 stable, new 2022R2 unstable

See merge request Pmodules/buildblocks!347
ANSYS: 2ANSYS fix modulefile

See merge request Pmodules/buildblocks!348
Update README.md

See merge request Pmodules/buildblocks!350
Update README.md

See merge request Pmodules/buildblocks!351
add relion 4.0.0

See merge request Pmodules/buildblocks!349
These depended on deprecated openmpi/4.0.4_slurm, so they have to also
be deprecated.
Update relion release status

See merge request Pmodules/buildblocks!352
New module: PEET

See merge request Pmodules/buildblocks!353
Wraps the conda environment
Create cryodrgn/1.1.0 pmodule

See merge request Pmodules/buildblocks!354
Resolve "add build-block template in group Tools"

Closes #241

See merge request Pmodules/buildblocks!355
Ucx ompi405

See merge request Pmodules/buildblocks!358
Add Paraview 5.10.1

See merge request Pmodules/buildblocks!359
Resolve "build openmpi/4.1.4 with gcc/10.4.0"

Closes #247

See merge request Pmodules/buildblocks!363
Resolve "build zlib/1.2.13"

Closes #248

See merge request Pmodules/buildblocks!364
Resolve "build gsl/2.7 with gcc/10.4.0"

Closes #250

See merge request Pmodules/buildblocks!366
This is the first version to use modbuild; IMOD/4.9.5 was installed
manually.
Install IMOD/4.11.20

See merge request Pmodules/buildblocks!368
Resolve "build hdf5/1.10.8 with gcc/10.4.0"

Closes #249

See merge request Pmodules/buildblocks!365
Resolve "compile gcc/10.4.0"

Closes #246

See merge request Pmodules/buildblocks!362
Add ucx-1.13.1-3_slurm

See merge request Pmodules/buildblocks!369
Also standardize the MotionCor2 wrapper so that it's the same for all
module versions regardless of cuda support
Add new MotionCor2 variants

See merge request Pmodules/buildblocks!370
Marking MotionCor2 stable

See merge request Pmodules/buildblocks!372
Create ctffind4 build script & install 4.1.14

See merge request Pmodules/buildblocks!373
Resolve "H5root: fix release stages"

Closes #253

See merge request Pmodules/buildblocks!374
Resolve "build modules with gcc/10.4.0"

Closes #251

See merge request Pmodules/buildblocks!367
Golang

See merge request Pmodules/buildblocks!376
Resolve "impi: change release stage to deprecated for version 19.4 and older"

Closes #254

See merge request Pmodules/buildblocks!375
Resolve "gnuplot/5.4.4"

Closes #238

See merge request Pmodules/buildblocks!341
Resolve "HDF5_blosc: deprecate version compiled with a deprecated compiler"

Closes #256

See merge request Pmodules/buildblocks!379
Resolve "git-lfs module"

Closes #255

See merge request Pmodules/buildblocks!378
Resolve "git/2.37.1"

Closes #239

See merge request Pmodules/buildblocks!343
Resolve "root new version with FFTW"

Closes #222

See merge request Pmodules/buildblocks!316
Release PEET 1.16.0

See merge request Pmodules/buildblocks!380
Resolve "build module for ninja"

Closes #244

See merge request Pmodules/buildblocks!360
Close: #258
FIX: change release stages to correct stage

See merge request Pmodules/buildblocks!384
Update README.md

See merge request Pmodules/buildblocks!385
Add UCX 1.14.0-rc5

See merge request Pmodules/buildblocks!386
Add GAMS

See merge request Pmodules/buildblocks!387
Add modulefile. Deprecate 30.3.0

See merge request Pmodules/buildblocks!388
Update README.md

See merge request Pmodules/buildblocks!389
Update README.md

See merge request Pmodules/buildblocks!390
Release relion 4.0.1

See merge request Pmodules/buildblocks!391
Create charmm/47.2 module

See merge request Pmodules/buildblocks!392
Release MotionCor2/1.6.4

See merge request Pmodules/buildblocks!393
Ansys fix

See merge request Pmodules/buildblocks!394
Cuda12.1

See merge request Pmodules/buildblocks!396
Add gtest/1.13.0

See merge request Pmodules/buildblocks!397
ADD: EMAN build file & EMAN/2.99.47 installatioN

See merge request Pmodules/buildblocks!395
Cuda12.1

See merge request Pmodules/buildblocks!402
Add pmix

See merge request Pmodules/buildblocks!403
OpenMPI+Intel

See merge request Pmodules/buildblocks!404
Add openmpi with gcc/11.4.0

See merge request Pmodules/buildblocks!407
Resolve "fftw 3.3.10 for merlin with gcc/10.4.0 and openmpi/4.1.5_merlin6"

Closes #266

See merge request Pmodules/buildblocks!408
Update variants.rhel7

See merge request Pmodules/buildblocks!409
Resolve "build modules for current gcc's"

Closes #264

See merge request Pmodules/buildblocks!405
Resolve "build cmake/3.25.2"

Closes #257

See merge request Pmodules/buildblocks!381
Resolve "new build-block for gdb"

Closes #259

See merge request Pmodules/buildblocks!398
Resolve "new build-block GNU parallel"

Closes #262

See merge request Pmodules/buildblocks!401
Resolve "vim 8.1"

Closes #261

See merge request Pmodules/buildblocks!400
Resolve "new build-block for moreutils"

Closes #260

See merge request Pmodules/buildblocks!399
Resolve "gtest: download url has hardcoded version"

Closes #268

See merge request Pmodules/buildblocks!411
update build to compile against correct GCC libstdc++
add clang 15.0.6

See merge request Pmodules/buildblocks!377
Julia

See merge request Pmodules/buildblocks!413
Mark IMOD/4.11.20 as stable

See merge request Pmodules/buildblocks!414
Beta versions come from a different URL
Add IMOD/4.12.50-beta

See merge request Pmodules/buildblocks!415
Add IMOD/4.11.24 release

See merge request Pmodules/buildblocks!416
Mark PEET/1.16.0 as stable

See merge request Pmodules/buildblocks!417
Resolve "new module for redis"

Closes #269

See merge request Pmodules/buildblocks!418
Built dynamo/1.1.538

See merge request Pmodules/buildblocks!420
ADD: newest ANSYS version and prepending of ANSYS lumerical bin path

See merge request Pmodules/buildblocks!421
Fix Lumerical LD_LIBRARY_PATH

See merge request Pmodules/buildblocks!422
UCX 1.15.0

See merge request Pmodules/buildblocks!424
Add jinja2 to the hpce-tools environment

See merge request Pmodules/buildblocks!426
Resolve "toolchain for IPPL/OPAL with gcc/12.3.0"

Closes #267

See merge request Pmodules/buildblocks!410
Ra standard py311

See merge request Pmodules/buildblocks!427
Resolve "build new pmodule finddqe"

Closes #271

See merge request Pmodules/buildblocks!425
Quick fix for notebook widgets

See merge request Pmodules/buildblocks!428
Update README.md

See merge request Pmodules/buildblocks!430
Resolve "toolchain for IPPL/OPAL with gcc/12.3.0"

Closes #267

See merge request Pmodules/buildblocks!431
Fixes #275.
Resolve "relion_5.0-beta"

Closes #276

See merge request Pmodules/buildblocks!433
Set MotionCor2 path based on the loaded cuda version.

Closes #275

See merge request Pmodules/buildblocks!432
This migrates to installing from github.
These can be removed after some time. They don't work anyways.
datacatalog/2.2.0

See merge request Pmodules/buildblocks!437
Resolve "new tomodrgn module"

Closes #277

See merge request Pmodules/buildblocks!439
Update README.md

See merge request Pmodules/buildblocks!441
Features:
- SciCat GUI works on RHEL8
- Updates download URL and untar procedure
Release datacatalog 2.2.1

See merge request Pmodules/buildblocks!442
ADD: nvhidia 4.3 and 23.5 SDKK related openmpi and qe/7.3.1 CPU&GPU

See merge request Pmodules/buildblocks!434
Resolve "add cryocare"

Closes #279

See merge request Pmodules/buildblocks!443
Resolve "openmpi 4.1.6 without libfabric"

Closes #280

See merge request Pmodules/buildblocks!444
Resolve "gcc: compile new versions"

Closes #281

See merge request Pmodules/buildblocks!445
Resolve "gcc: YAML config files for gmp, mpfr and mpc"

Closes #283

See merge request Pmodules/buildblocks!447
Resolve "openblas: update build-script and build new version"

Closes #282

See merge request Pmodules/buildblocks!446
ADD: fluka4.4 build and config scripts

See merge request Pmodules/buildblocks!436
Resolve "openmpi: openmpi for Alps"

Closes #284

See merge request Pmodules/buildblocks!448
# Conflicts:
#   Compiler/openmpi/files/config.yaml
Resolve "gcc: fix build-block for GraceHopper"

Closes #285

See merge request Pmodules/buildblocks!450
added 2 conda environments
- jupyterhub-4.1.6_lab4_py3.12
- datascience_2024_py3.12
build files for new miniconda base 2024.08

Closes #290

See merge request Pmodules/buildblocks!454
v4.1.6 with intel 22.2 and minor fixes

See merge request Pmodules/buildblocks!458
Mpich merlin7

See merge request Pmodules/buildblocks!457
Resolve "hwlock: YAML config"

Closes #291

See merge request Pmodules/buildblocks!459
Resolve "hwloc version 2.11.1"

Closes #292

See merge request Pmodules/buildblocks!460
Resolve "git: review build-block"

Closes #293

See merge request Pmodules/buildblocks!461
Resolve "parmetis: review build-block"

Closes #294

See merge request Pmodules/buildblocks!462
Resolve "getopt: review build-block"

Closes #295

See merge request Pmodules/buildblocks!463
Libfabric rework for Pmodules 1.1.22+

See merge request Pmodules/buildblocks!455
Resolve "EM_napari"

Closes #303

See merge request Pmodules/buildblocks!470
Resolve "EM_cryolo"

Closes #304

See merge request Pmodules/buildblocks!471
Resolve "IMOD-merlin7"

Closes #305

See merge request Pmodules/buildblocks!472
Resolve "topaz module"

Closes #306

See merge request Pmodules/buildblocks!473
Resolve "PEET_1.17.0_merlin7"

Closes #307

See merge request Pmodules/buildblocks!474
Resolve "eman_2.99.66"

Closes #308

See merge request Pmodules/buildblocks!475
Resolve "deepEMhancer merlin7"

Closes #309

See merge request Pmodules/buildblocks!476
Add gcc 8.5.0 for ALPS

See merge request Pmodules/buildblocks!468
Openmpi update

Closes #296, #298, and #299

See merge request Pmodules/buildblocks!465
Resolve "relion5.0.0"

Closes #289

See merge request Pmodules/buildblocks!478
Add files/config.yaml

See merge request Pmodules/buildblocks!479
Resolve "cuda: YAML config and install on GH"

Closes #286

See merge request Pmodules/buildblocks!451
add relion 5 stable with performance flags

See merge request Pmodules/buildblocks!482
move anaconda_2024.08 to stable

See merge request Pmodules/buildblocks!485
add version fpart 1.7.0

See merge request Pmodules/buildblocks!486
Resolve "VSCode build-script"

Closes #312

See merge request Pmodules/buildblocks!487
Resolve "gnuplot: update release stages"

Closes #313

See merge request Pmodules/buildblocks!489
gcc: use dedicated modulefile for Merlin7

Closes #285

See merge request Pmodules/buildblocks!490
Resolve "curl: new Pmodule"

Closes #302

See merge request Pmodules/buildblocks!469
Resolve "patchelf: YAM config"

Closes #287

See merge request Pmodules/buildblocks!452
Resolve "Python: update/review"

Closes #311

See merge request Pmodules/buildblocks!481
# Conflicts:
#   Programming/perl/files/config.yaml
Resolve "git: build modules for newer version"

Closes #301

See merge request Pmodules/buildblocks!467
Resolve "restic module"

Closes #278

See merge request Pmodules/buildblocks!440
Resolve "nvim: new module"

Closes #245

See merge request Pmodules/buildblocks!361
Awscli

Closes #258

See merge request Pmodules/buildblocks!382
Add visit

See merge request Pmodules/buildblocks!483
Resolve "ncurses module"

Closes #252

See merge request Pmodules/buildblocks!371
ADD: Arpack-ng

See merge request Pmodules/buildblocks!419
Resolve "clang: add new versions"

Closes #314

See merge request Pmodules/buildblocks!491
ADD: config.yaml for clhep and geant4

See merge request Pmodules/buildblocks!438
Resolve "OPAL: YAML config and version 2024.1"

Closes #316

See merge request Pmodules/buildblocks!493
gdb/16.3: added

Closes #315

See merge request Pmodules/buildblocks!494
Resolve "build module for Elegant 2025.2.0"

Closes #318

See merge request Pmodules/buildblocks!503
Jupyterhub 5

See merge request Pmodules/buildblocks!505
Remove oss libfabric/1.22.0 in favor of Cray. Update OpenMPI modules with new libfbric

Closes #319

See merge request Pmodules/buildblocks!480
MPICH CPU and GPU variants

Closes #300

See merge request Pmodules/buildblocks!466
GAMS 50.3.0 and updated to yaml

Closes #322

See merge request Pmodules/buildblocks!510
Gams

See merge request Pmodules/buildblocks!511
Mpich intelcc

See merge request Pmodules/buildblocks!519
Ansys 2025 r2 unstable

See merge request Pmodules/buildblocks!520
WIP: OpenMPI v5.0.8 unstable

See merge request Pmodules/buildblocks!523
Release datacatalog 2.2.2 and 3.0.0-alpha7

See merge request Pmodules/buildblocks!527
agosti_j closed this pull request 2025-10-17 08:48:35 +02:00
agosti_j deleted branch Rosetta_3.15 2025-10-17 08:49:44 +02:00

Pull request closed

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Reference: mx/MX_Pmodule#15