* Clarify comments about QMCPACK-to-QE converter.
* Allow hdf5=serial with QE 6.4.1 + qmcpack, but apply filter_file.
* Ammend comments about the use of the filter_file.
-[x] `z3` needs a dependency on `py-setuptools`
-[x] `z3` has a run dependency on `python`, so we might as well make
building with the python bindings default
`clingo` has some undocumented dependencies:
- `bison`, for which the default macos version is too old
- `re2c`, which isn't always available
Also, the python installation was not set up properly. Clingo by default
does an install in `~/.local`, so we need to disable that and add a few
other options to get things right.
- [x] add `bison` dependency
- [x] add `re2c` dependency
- [x] make `doxygen` dependency optional (and patch if needed)
- [x] add options to fix `python` build
- [x] make python build optional but on by default
* Add pmi support (required by ucx, ofi, and gni backends)
* Add support for ucx backend
* Add dependency on MPI for pmi=simplepmi, slurmpmi, or slurmpmi2
* Remove charmpp as an MPI provider since the changes in this PR can
add MPI as a dependency (mentioned previously)
* Install into transport_protocol-OS-arch subdirectory to match
default charmpp installation behavior (which helps dependents find it)
SKX includes AVX-512 extensions that consumer Skylake processors do
not have. Therefore, map Skylake to the prior arch to work on
these systems. Skylake-X processors will still map as the
skylake_avx512 spack arch and get the correct optimzations.
* Add maintainers.
Add variants for building with default earlier api versions.
* Update var/spack/repos/builtin/packages/hdf5/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add naromero77 as a maintainer for QMCPACK Spack package.
* Add QMCPACK 3.9.2
* Remove QE-to-QMCPACK wave function converter from QMCPACK Spack package. Already been moved to QE Spack package.
* Fix dependency of geant4 (amends #16497)
* Update geant4-data dependencies
* Reviewer comments (part 1/2)
* Reviewer comments (part 2/2)
* Update var/spack/repos/builtin/packages/geant4-data/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Adapt to the latest Acts developments
A long time ago, the Acts project (whose name was then capitalized ACTS) used
to maintain multiple software repositories:
- The heart of the tracking toolkit was located in the `acts-core` repository
- Fast simulation extensions were located in the `acts-fatras` repository
- Advanced usage examples were located in the `acts-framework` repository
This multi-repository organization, however, has been a source of constant
pain, which is why the various projects were gradually merged into a single
mono-repo, called `acts`. Today, with the integration of `acts-framework`,
this merging process is reaching completion.
The present pull request adapts the Acts package to this evolution by...
- Renaming the package to `acts`, reflecting the new repository name
- Renaming the `test` variant to `unit_tests`, reflecting current CMake naming
- Adding the new build variants that were inherited from `acts-framework`
- Acknowledging the change of semantics of the `examples` variant, and only
supporting the new ones (as the former variant was almost unused)
- Liberally using alphabetical order to make the package code more readable
- Recording a large number of conflicts, some of which are introduced by the
merging of `acts-framework` and some of which already existed before
- Using the new capitalization of "Acts"
* Add acts v0.23
* Update dd4hep version requirement
* Add acts v0.22.1 bugfix
* openfoam: correspond to build with Fujitsu compiler.
* openfoam: add rules for Fujitsu compiler (on linuxARM64)
- the Fujitsu compiler is a clang derivative, so use a modified
version of the clang rules if upstream does not supply anything
If using mpirun, the R sessions can be started with a wrapper script
that helps set up the R session cluster. Put this wrapper in the PATH so
it is easily accessible.
Add a `spack external find` command that tries to populate
`packages.yaml` with external packages from the user's `$PATH`. This
focuses on finding build dependencies. Currently, support has only been
added for `cmake`.
For a package to be discoverable with `spack external find`, it must define:
* an `executables` class attribute containing a list of
regular expressions that match executable names.
* a `determine_spec_details(prefix, specs_in_prefix)` method
Spack will call `determine_spec_details()` once for each prefix where
executables are found, passing in the path to the prefix and the path to
all found executables. The package is responsible for invoking the
executables and figuring out what type of installation(s) are in the
prefix, and returning one or more specs (each with version, variants or
whatever else the user decides to include in the spec).
The found specs and prefixes will be added to the user's `packages.yaml`
file. Providing the `--not-buildable` option will mark all generated
entries in `packages.yaml` as `buildable: False`
Cray has two machine types. "XC" machines are the larger
machines more common in HPC, but "Cluster" machines are
also cropping up at some HPC sites. Cluster machines run
a slightly different form of the CrayPE programming environment,
and often come without default modules loaded. Cluster
machines also run different versions of some software, and run
a linux distro on the backend nodes instead of running Compute
Node Linux (CNL).
Below are the changes made to support "Cluster" machines in
Spack. Some of these changes are semi-related general upkeep
of the cray platform.
* cray platform: detect properly after module purge
* cray platform: support machines running OSs other than CNL
Make Cray backend OS delegate to LinuxDistro when no cle_release file
favor backend over frontend OS when name clashes
* cray platform: target detection uses multiple strategies
This commit improves the robustness of target
detection on Cray by trying multiple strategies.
The first one that produces results wins. If
nothing is found only the generic family of the
frontend host is used as a target.
* cray-libsci: add package from NERSC
* build_env: unload cray-libsci module when not explicitly needed
cray-libsci is a package in Spack. The cray PrgEnv
modules load it implicitly when we set up the compiler.
We now unload it after setting up the compiler and
only reload it when requested via external package.
* util/module_cmd: more robust module parsing
Cray modules have documentation inside the module
that is visible to the `module show` command.
Spack module parsing is now robust to documentation
inside modules.
* cce compiler: uses clang flags for versions >= 9.0
* build_env: push CRAY_LD_LIBRARY_PATH into everything
Some Cray modules add paths to CRAY_LD_LIBRARY_PATH
instead of LD_LIBRARY_PATH. This has performance benefits
at load time, but leads to Spack builds not finding their
dependencies from external modules.
Spack now prepends CRAY_LD_LIBRARY_PATH to
LD_LIBRARY_PATH before beginning the build.
* mvapich2: setup cray compilers when on cray
previously, mpich was the only mpi implementation to support
cray systems (because it is the MPI on Cray XC systems).
Cray cluster systems use mvapich2, which now supports cray
compiler wrappers.
* build_env: clean pkgconf from environment
Cray modules silently add pkgconf to the user environment
This can break builds that do not user pkgconf.
Now we remove it frmo the environment and add it again if it
is in the spec.
* cray platform: cheat modules for rome/zen2 module on naples/zen node
Cray modules for naples/zen architecture currently specify
rome/zen2. For now, we detect this and return zen for modules
named `craype-x86-rome`.
* compiler: compiler default versions
When detecting compiler default versions for target/compiler
compatibility checks, Spack previously ran the compiler without
setting up its environment. Now we setup a temporary environment
to run the compiler with its modules to detect its version.
* compilers/cce: improve logic to determine C/C++ std flags
* tests: fix existing tests to play nicely with new cray support
* tests: test new functionality
Some new functionality can only be tested on a cray system.
Add tests for what can be tested on a linux system.
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
Since #9481 Python's None is not permitted as a value for
MV variants. The string 'none' is used instead.
Add the same fix for the amgx and lammps packages
* CMake: fix https://github.com/spack/spack/issues/16453 with a patch addressing both libhugetlbfs and icpc warnings on Cray XC40 systems
* Including CMake v3.17.2 in the patched versions
* libspatialite
* flake8
* Added proper version constrain
* Update var/spack/repos/builtin/packages/libspatialite/package.py
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/libspatialite/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Otherwise, if I run `xenv` after `spack load py-xenv` it fails with:
```
Traceback (most recent call last):
File "/home/vavolkl/spack/opt/spack/linux-centos7-broadwell/gcc-8.3.0/py-xenv-develop_2018-12-20-lqbxakapsepqo5w3sjhhokj5o7c5jei2/bin/xenv", line 6, in <module>
from pkg_resources import load_entry_point
ModuleNotFoundError: No module named 'pkg_resources'
```
* [gaudi] fixes and patches
* Update var/spack/repos/builtin/packages/gaudi/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/gaudi/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Apply suggestions from code review
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [gaudi] add older versions and fold +tests into +optional
* [gaudi] set run environment
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* grass
* Update var/spack/repos/builtin/packages/grass/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Elizabeth Fischer <elizabeth.fischer@alaska.edu>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
We can control the shared/static build of CMake and the default in
Spack is to build shared libraries. The old, uncontrolled default
of this package is a static build.
* Revise description of patch variant.
* Add qmcpack variant. Apply QE-to-QMCPACK wave function converter patch.
* Clean-up, document, and re-organize.
* ELPA patches did not nead when=`+patch` variant.
* Need to be more precise here with QE version numbers.
* satisfies seems to be necessary here in order to get correct behaviour.
* Buglet with zlib link line.
* Update var/spack/repos/builtin/packages/quantum-espresso/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/quantum-espresso/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Fix for QE-to-QMCPACK wave function converter w.r.t. QE 6.3. Also adjust comments to reflect changes in code.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
mfem variant hypre is now rolled into variant mpi - so update spec accordingly
mfem@4.0.1-xsdk+superlu-dist is broken and unsupported - so disable it
with the addition of py-petsc4py@3.13.0 - conretizer gets confused and is not picking py-petsc4py@3.12.0 as a compatible dependency with petsc@3.12. So manually specify it.
Also depends_on('py-libensemble@0.5.2+petsc4py ^py-petsc4py@3.12.0' causes concretizer to hang forever
* Add more checksummed versions
* Remove all versions not supported by autotools build method
* Add old build system for older versions
* Add suggested changes
* add amgx package
* add amgx variants for mkl and magma support
* fix typo in cmake option
* flake8 fix formatting
* Apply suggestions from code review - use mkl virtual provider
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* Apply suggestions from code review - fix copypasta
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add additional variants to netcdf-fortran
* Fix duplicate variant
* Clean up variants based on review feedback
* Addtional variant changes
* Convert jna variant to single line
* Fix proper version constraints for jna variant
* cp2k: prettify arch-file, call pkg-config directly
this allows to re-use the arch-file without having to load the complete
Spack environment, for example after a dev-build
* cp2k: use consistency check instead of blas lib enum
this makes using other BLAS/LAPACK implementations possible without
explicitly adding support for them
* cp2k: add basic support for Cray and XL Compilers, correct Intel fp mode
* cp2k: add myself as maintainer
* cp2k: use "master" to denote the git version
* cp2k: use spack_cc/fc/cxx when possible, set CXX explicitly
* cp2k: set __MKL when using the MKL, not just the Intel compiler
* cp2k: drop self. when referencing spec where possible
* cp2k: add forgotten elpa+openmp dep
* cp2k: set C++14 for recent versions
* Add new version: "Abseil LTS branch, Feb 2020, Patch 1"
* Build shared libraries by default with new version
* Older versions do not support building shared libraries
* Update bat and make the url dynamic
- Now depending on the version it will calculate
the url
- This also fixes a weird issue that was reported
on Darwin, back when I reported that Rust wasn't
linking properly on Darwin #15887 on the comment
by hartzell i was also experiencing this issue
* Remove unnecessary stuff
- Removes the need for LLVM
- Removes the need for version calculation.
* Keep the versions on 1 line
* Pass flake8 tests
* Add new package exa
* Format and fix a silly typo
* Fix SHA256 SUM and make URL calculation dynamic
* Remove unnecessary URL calculation
* Update package.py
* Keep the version on 1 line
* Pass flake8 checks
* Add ShengBTE
Adding a new package; ShengBTE. I tried adding it a MakefilePackage, and use build_directory = 'Src', but it was as if the build_directory gets ignored and make complains about target not found. and using the make funtion here instead of os.system, I get errors that config.f90 is not found which is already available under Src as well.
* more enhancmenets
fix lint; use mkl spec; use build_directory variable
* one more fix
* Use Makefile template
* Update var/spack/repos/builtin/packages/shengbte/package.py
use mkl instead of intel-mkl as a dependency
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/shengbte/package.py
update recipe as suggested by reviewer
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* enhance recipe
remove white space; changes as suggested by reviewer
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Fixed SSL pathing for older versions of Python (i.e. @:3.6.999).
* Fixed an issue where the 'python~ssl' variant wasn't properly being respected.
* Improved the '~ssl' patch by making it functional instead of diff-based (enables 3.X.Y patches).
* Fixed comment formatting to satisfy 'flake8' style requirements.
On Power architectures cuDNN will install in a target directory. This
sets cuDNN_ROOT to point to the subdirectory to help dependents use
this install.
The singularity info should actually suggest where you might find the info about the post-install steps.
Co-authored-by: george.hartzell <george.hartzell@sana.com>
Building the `py-jupyter` stack on macOS with AppleClang breaks on
the `py-qtconsole` -> `py-qtconsole` -> `qt +opengl` package build
environment setup with:
```
==> Error: AttributeError: Query of package 'mesa' for 'libs' failed
...
==> Error: Failed to install qt due to ChildError: AttributeError: Query of package 'mesa' for 'libs' failed
```
This tries to add more library targets build by `mesa` to avoid this.
* LLVM: Python Dependency
Effort to expose the linked python library when building LLVM.
This might fix the forward propagation of libintl that comes
with the static python library build on darwin.
* LLDB Py: Remove Ignored Old Flags
Changed in LLVM 10.0+
This allows horovod to be built with frameworks=pytorch,tensorflow.
I tracked down the crash I observed in #15719, where loading torch
before tensorflow would cause a crash in:
google::protobuf::internal::(anonymous
namespace)::InitSCC_DFS(google::protobuf::internal::SCCInfoBase*)
The solution is to make tensorflow compile against the protobuf
version Spack provides, instead of allowing it to use it's own.
It's likely we'll want to go after some of the others
that are listed in third_party/systemlibs/syslibs_configure.bzl
in the future.
* Update var/spack/repos/builtin/packages/py-sqlparse/package.py
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* Add new package py-sqlparse
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
The major building blocks in many software stacks:
- CPython
- CMake (libuv)
do not build on macOS with GCC. The main problem is that some macOS
framework includes pull in objective-c code and that code does get
misinterpreted as (invalid) C by GCC by default.
Last month VTK-m releases its lastest version named `v1.5.1`. This new
release only contains bugfixes related to compiler error / warnings.
- Depends on CMake >= 3.12
- Set VTKm_NO_ASSERT=ON by default
- add maintainers
Signed-off-by: Vicente Adolfo Bolea Sanchez <vicente.bolea@kitware.com>
Update compiler config with bootstrapped compiler when it was already installed and added config defaults to code so mutable_config test fixture works.
hwloc depends on MPI when netloc is enabled. Note that OpenMPI depends on
netloc, so hwloc cannot use OpenMPI as the MPI provider when netloc is
enabled (this would result in a cyclic dependency).
While building _visit_, I ran into an undefined symbol at link time. I tracked
the missing dependency to _libsm_ needing to know about _libuuid_ at link time.
* phist: add int64 variant and resulting conflicts and dependencies
* phist: use Trilinos TPLs as soon as they are in the spec, not just if +trilinos isexplicitly set
and remove a redundant depends-statement
* phist: use int as gotype for Trilinos dependency if ~int64
* phist: new version 1.9.0
* phist: remove trailing whitespace
* phist: updated checksum (version tag was moved)
* Fix: Flex Reconfigure
Learn the `flex` package how to reconfigure itself when needed.
Fix#11551
Co-authored-by: Andrew W Elble <aweits@rit.edu>
* Autoreconf: only when actually desired
Co-authored-by: Andrew W Elble <aweits@rit.edu>
* New package: sumo
This PR adds the sumo package, as well as the fox package as a
dependency. It also updates and adds some fixes for openscenegraph.
For fox, the patch is for the development version. That patch should not
be necessary in future versions as it has been applied upstream. The
stable version is 1.6.57 and is marked as preferred. This is the version
needed for sumo.
Added dependencies for openscenegraph as well as set constraints on qt
versions.
* Update var/spack/repos/builtin/packages/sumo/package.py
I had intended to set this version constraint but somehow did not.
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* Add dependency types to sumo recipe
- googletest: 'test'
- swig: 'build'
- java: 'build', 'run'
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Since #16132, we've consolidated the setting of FORCE_UNSAFE_CONFIGURE to
`autotools.py`, so we don't need to use it in packages like `coreutils`,
in our commands, or in our container recipes.
- [x] Remove FORCE_UNSAFE_CONFIGURE from packages
- [x] Remove FORCE_UNSAFE_CONFIGURE from container recipes
- [x] Remove FORCE_UNSAFE_CONFIGURE from `spack ci` command
