The dev branch of UnifyFS now depends on the latest release of
GOTCHA, and will future releases.
This updates our spackage to depend on the correct version of GOTCHA
depending on the version of UnifyFS being installed.
* Create VMD recipe
This is a new recipe to install VMD on Spack-managed hosts.
* Fix lint errors.
* Use plain Package
As per peer-review:
- Use Package to build
- Use configure to create a Makefile
- Use install to copy files to prefix directory
* Move VMD package to correct path, duh...
* Restructure description so first short paragraph can be used by module files.
* Add an empty line as suggested by peer-review. That's how you separate paragraphs.
* Remove extra spaces.
* Use setup_build_environment since that's where you're supposed to export OS variblaes. Thanks to peer-review for spotting this.
* Create VMD recipe
This is a new recipe to install VMD on Spack-managed hosts.
* Fix lint errors.
* Use plain Package
As per peer-review:
- Use Package to build
- Use configure to create a Makefile
- Use install to copy files to prefix directory
* Move VMD package to correct path, duh...
* Add Cubist (#16069)
* Add Cubist
* enhance recipe
* Not using OS module anymore
* remove white space
* Fix build shell
* make Flake8 happy
* use bash shell for build
* Convert it To MakefilePackage as per peer-review
* dbcsr: expose all options, check openblas feats (#16034)
* dbcsr: expose all options, check openblas feats
* dbcsr: use Ninja to build, ensure serialized tests
* dbcsr: add myself as maintainer
* MPark.Variant: GCC 7.3.1 Conflict (#16081)
* MPark.Variant: GCC 7.3.1 Conflict
Due to an ICE in this specific patch-release of GCC, compile
errors in downstream packages should be avoided with a clean
conflict.
* Fix superfluous spaces
Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>
* Fix typo
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Move VMD package to correct path, duh...
* Add an empty line as suggested by peer-review. That's how you separate paragraphs.
* New matlab versions (#16086)
* Add new version 1.1.1 (#16087)
* New package bonniepp added (#16091)
* openbabel: fix compilation errors (#16090)
- Disable maeparser as it is broken with CMake
- Added missing dependencies
* singularity: updated maintainer list (#16093)
* New version xrootd-4.11.3 (#16092)
* I added Gaussian 16. I also execute bsd/install to fix scripts instead of filtering them.
* revert VMD so only Gaussian is in my PR.
* revert VMD so only Gaussian is in my PR.
* revert VMD so only Gaussian is in my PR.
* I added myself as a package maintainer.
Co-authored-by: asmaahassan90 <31959389+asmaahassan90@users.noreply.github.com>
Co-authored-by: Tiziano Müller <tiziano.mueller@chem.uzh.ch>
Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
Co-authored-by: Amjad Kotobi <amjadkotbi@gmail.com>
Co-authored-by: athanasio <athanasio@users.noreply.github.com>
Co-authored-by: Carlos Arango Gutierrez <arangogutierrez@gmail.com>
The openssl build process can use the wrong perl for
various reasons, including:
* Wrong value in PERL env var
* The build process first looks for `perl5`, which the
spack system does not provide, but some other
distributions provide it. That way, the build process can
end up using the wrong perl.
Stop all of these problems by explicitly setting PERL to
the to be used dependency.
* Updated versions of COSMA.
* Added an empty line for formatting.
* Switched to sha256.
* Renamed gpu variant to cuda. Extending the CudaPackage base class.
This change also adds a code path through the spack ci pipelines
infrastructure which supports PR testing on the Spack repository.
Gitlab pipelines run as a result of a PR (either creation or pushing
to a PR branch) will only verify that the packages in the environment
build without error. When the PR branch is merged to develop,
another pipeline will run which results in the generated binaries
getting pushed to the binary mirror.
* Fixing the build directory for cardioid.
* These imports are no longer needed due to deletions.
Co-authored-by: Robert Blake <rob.c.blake.3@gmail.com>
* [maloc] created template
* [maloc] added some build dependencies
* [maloc] added homepage and description
* [maloc] added doc variant in an attempt to disable documentation. Still builds doc though... at least when there is a system doxygen found. Having doxygen being a dependency here can bring python in and cause issues for dependents, even when listed as only a build dependency. Maybe this is a bug?
* [maloc] flake8 and fixme removal
* [maloc] shorted description
The pkg-config file of newer versions of at-spi2-core includes
dependencies for xtst, recordproto, inputproto and fixesproto, so they
have to be available at runtime as well.
* Adding varient for python interface in HELICS
* Append python interface to pythonpath
* cleaning up blank lines
* Update var/spack/repos/builtin/packages/helics/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* 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>
