- [x] add `concretize.lp`, `spack.yaml`, etc. to licensed files
- [x] update all licensed files to say 2013-2021 using
`spack license update-copyright-year`
- [x] appease mypy with some additions to package.py that needed
for oneapi.py
* 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>
- Add a test that verifies checksums on all packages
- Also add an attribute to packages that indicates whether they need a
manual download or not, and add an exception in the tests for these
packages until we can verify them.
- remove the old LGPL license headers from all files in Spack
- add SPDX headers to all files
- core and most packages are (Apache-2.0 OR MIT)
- a very small number of remaining packages are LGPL-2.1-only
Replace use of `shutil.copytree` with `copy_tree` and `install_tree` functions in `llnl.util.filesystem`.
- `copy_tree` copies without setting permissions. It should be used to copy files around in the build directory.
- `install_tree` copies files and sets permissions. It should be used to copy files into the installation directory.
- `install` and `copy` are analogous single-file functions.
- add more extensive tests for these functions
- update packages to use these functions.
* Gaussian: Gaussian install
* Adding Patch to spack installed files
* Adding extra environment variables for gaussian at run time
* Adding provides linda
* Adding linda as a provided package
* Shortning vars and fixing flake8 indentation and spacings
