* Add mising QE releases.
* Update QE dependencies and conflicts.
* QE 6.3 install method requires a patch to work properly.
* include QE git develop branch
* QE HDF5 needs Fortran support. HDF5 versions prior to 1.8.16 leads to QE runtime errors.
* Number of MKL related conflicts for QE.
* Flake8 fixes for QE for hdf5 lines.
* Pass in all compilers properly to QE configure
* Fixed external BLAS/LAPACK linkage in QE.
* Library search was problematic in QE.
* Add section headings to QE package.
* External FFTW compatible libraries properly detected in QE.
* Flake8 fixes for QE
* QE configure defaults to False for ELPA, thus Spack package should as well.
* QE depends on FFTW3 provider instead of FFTW explictly.
* Primary QE repo is gitlab.com, not github.com. Github mirror lags behind gitlab site.
* Support both 6.3-backports branch and develop branch in QE.
* QE patch needed for proper MKL detection. MKL_ROOT is detected and preferred, still falls back to finding first MKL installation in /opt/intel.
* Use FFTW-API provider versioned interface for specify QE FFT dependency.
* QE FFTW conflicts no longer need thanks to FFTW-API provider versioned interface.
* Flake8 3.6.0 fix in support of https://github.com/spack/spack/pull/9853
* Fix QE conflict with ilp64 variant in support of https://github.com/spack/spack/pull/9853
* Remove custom url_for_version for QE package and use builtin url instead. In support of https://github.com/spack/spack/pull/9853
* Use FFTW builtin flags for QE instead of custom Python code. In support of https://github.com/spack/spack/pull/9853
* Fix typo in QE package comments. In support of https://github.com/spack/spack/pull/9853
* Future proof QE package patches in anticipation of QE >= 6.3.1. In support of https://github.com/spack/spack/pull/9853
* Adding version 2.0.12 of numactl.
* Adding new versions of hwloc.
* Adding NVML variant to hwloc.
* Adding gl variant to hwloc.
* Updating hwloc numactl dependency and gl dependency.
* Using gl virtual package in hwloc.
Clang 8.0 now supports openmp 4.5 and many commerical compilers also support
openmp >= 4.0. This commit removes the openmp version guard and rely on CMake
to throw errors out when openmp version requirement is not satisified.
It also add options for precision control.
* CGNS: Add option for 64-bit integers
Added the `int64` variant which will build the library using 64-bit integers for certain values. This gives the capability to have models with more than 2 billion cells and/or nodes.
Beginning with CGNS-3.1.0, two new typedef variables have been introduced to support 64-bit mode. The `cglong_t` typedef is always a 64-bit integer, and `cgsize_t` will be either a 32-bit or 64-bit integer depending on how the library was built. Many of the C functions in the MLL have been changed to to use `cgsize_t` instead of `int` in the arguments. These functions include any that may exceed the 2Gb limit of an` int`, e.g. zone dimensions, element data, boundary conditions, and connectivity. In Fortran, all integer data is taken to be `integer*4` for 32-bit and `integer*8` for 64-bit builds.
* EXODUS: Update version and dependencies
Allow pulling master version from git. Note that I hope to have better versioning "soon"
Add requirement to use Netcdf-4.6.1 or later as those versions no longer require changing the `maxdims` or `maxvars` defines in the netcdf.h include file. With these versions, Exodus can use an unmodified NetCDF. These versions of NetCDF are also better than previous versions (code quality, performance, robustness).
It is still possible to run exodusII with previous NetCDF versions, but I don't know how to specify that the dependency where maxdims/maxvars variants are only needed for versions prior to 4.6.0.
I also removed the explicit dependency on HDF5 as that dependency should be applied through the NetCDF dependency.
* Remove white-space on blank line
* Provide a new spackage for py-pint.
Pint is a Python package to define, operate and manipulate physical quantities:
the product of a numerical value and a unit of measurement. It allows arithmetic
operations between them and conversions from and to different
units. https://pint.readthedocs.io/en/latest/
* Switch hash from md5 to sha256.
Add several new versions so that current functionality can be accessed. Current version is now 1.5.13.
Update `url`, `list_url`, and `list_depth` so spack can find available versions
* PNETCDF: Update with current versions
Added latest versions. (1.10.0, 1.9.0, 1.8.1)
* PNETCDF: Revert version change in url
Reverted the change in the url variable version since not required.
* NETCDF: Add new versions and update url
Added the 4.6.2 version which was recently released.
Changed the url to point to the official Unidata site and added option to retrieve master version from git.
* NETCDF: checksum and version updates
Reverted back to use of previous URL. The `https://github.com/Unidata/netcdf-c/archive/v4.6.2.tar.gz` location is newer, but spack does not seem to be able to access all of the versions at that location -- only goes back to 4.5.0. Since several installations are still providing 4.4.0, thought it best to go back to previous url. However, it looks like the naming convention has changed since 4.6.2, so need to provide explicit url for 4.6.2. Probably best to go to a `url_for_version()` scheme if that naming convention stays in place?
This commit allows users to enable openmp, rendering, logging and mpi
in vtkm. Meanwhile, it adds support for cuda architecture selection.
[VTK-m 1.3 Release notes](https://gitlab.kitware.com/vtk/vtk-m/tags/v1.3.0)
Overhaul hpctoolkit to AutotoolsPackage and to build its dependencies
directly from spack instead of using hpctoolkit-externals.
Remove hpctoolkit-externals since it's no longer needed.
* py-jupyter-console: Add version 5.2.0
* py-jupyter-core: add version 4.4.0
* py-lxml: add version 4.2.5
* py-zmq: add version 17.1.2
* py-terminado: add version 0.8.1
* py-pexpect: add version 4.6.0
* py-pytables: add version 3.4.4
Fixes#994473c978d replaced a move with a copy, which cased rmdir to fail (as
it expects an empty directory). This switches to use `shutil.rmtree`
instead.
The latest OpenMPI release, v4.0.0, does not build with many GCC
variants. Since this is our default, a lot of users get hit.
Let's wait for some point releases.
* py-geopandas: New package, including packages for its dependencies
* Trailing whitespace removed, etc
* One more trailing whitespace
* Removed some extraneous dependencies. No idea why I thought I needed them, but it now builds fine without them.
* Added a variant +plotting, to include the dependencies required for plotting, as these are large-ish if not being used.
* Added explicit dependency on py-matplotlib
* r-geor: new package, and a couple of its dependencies
* Update to new copyright header
* Include the list_url for the R package archive dir
* Added explicit version ranges on dependencies, as per the relevant CRAN pages
* Correct dependency types in r-splancs.
* r-compositions: new package, including its dependencies
* Include the list_url for the R package archive dir
* Added explicit version ranges on dependencies, as per the relevant CRAN pages
Drop versions 8.1.x. These were > 5 years old, no other spack package
uses them, and they used autotools. Packages 'stat' and 'mitos' still
use 8.2.1, so we keep that.
Switch class Dyninst to CMakePackage.
Clean up how the versions depend on various packages. For example,
Dyninst used libelf up to 9.2, and then elfutils starting with 9.3.
This makes things easier going forward.
Add variant 'openmp' (default True) to enable openmp support for
ParseAPI. This was added in 10.0.0.
Add variant 'static' (default False) to also build static libraries.
This goes back to 9.1.0.
Disable cotire for the 9.3.x versions. Cotire has no real use in a
one-time build and can break parallel builds with both static and
shared libs.
* package: add asciidoctor gem
Faster, easier to use, less impossible to install correctly
implementation of asciidoc.
* ritual sacrifice of EOF whitespace to flake8
* openblas: enable parallel builds
* cp2k: enable parallel builds
* cp2k: fix building on multilib/Suse distros
use the actual directory path where files where installed to instead of
the default prefix+'/lib'
* cp2k: ensure we have a non-header-only libxsmm
* openblas: disable max num CPU detection on virtualized build
* cp2k: install data and set compiled-in DATA_DIR
* cp2k: make libxc an optional dependency (enabled by default)
* cp2k: link libint statically
* cp2k: declare statically linked library deps as type=build
* cp2k: add support for PGI compiler
* cp2k: rename smm=none to smm=blas for clarification
* cp2k: blacklist unsupported compilers
* cp2k: mark wannier90 a build-time dep since statically linked
* cp2k: make pexsi and elpa optional
* cp2k: add support for v6.1
* libxc: add version 4.2.3
* cp2k: use pkg-config to link properly to libxsmm
* cp2k: fix OpenMP support by making it explicit
Previously, CP2K accepted threaded ELPA or BLAS, leading to #(CPU) processes
being spawned even though no explicit OpenMP was requested. Now the
`popt` variant should truly be thread free while the `psmp` variant uses
threads also internally.
* cp2k: source tarballs moved to GitHub
