* 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>
Allows `all` to be configured non-buildable in packages.yaml.
The following config would only allow zlib to be built by Spack, all other packages would have to be found as externals.
```
packages:
all:
buildable: False
zlib:
buildable: True
```
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.
