Commit Graph

16 Commits

Author SHA1 Message Date
Tom Scogland
18c2f1a57a
refactor: packages import spack.package explicitly (#30404)
Explicitly import package utilities in all packages, and corresponding fallout.

This includes:

* rename `spack.package` to `spack.package_base`
* rename `spack.pkgkit` to `spack.package`
* update all packages in builtin, builtin_mock and tutorials to include `from spack.package import *`
* update spack style
  * ensure packages include the import
  * automatically add the new import and remove any/all imports of `spack` and `spack.pkgkit`
    from packages when using `--fix`
  * add support for type-checking packages with mypy when SPACK_MYPY_CHECK_PACKAGES
    is set in the environment
* fix all type checking errors in packages in spack upstream
* update spack create to include the new imports
* update spack repo to inject the new import, injection persists to allow for a deprecation period

Original message below:
 
As requested @adamjstewart, update all packages to use pkgkit.  I ended up using isort to do this,
so repro is easy:

```console
$ isort -a 'from spack.pkgkit import *' --rm 'spack' ./var/spack/repos/builtin/packages/*/package.py
$ spack style --fix
```

There were several line spacing fixups caused either by space manipulation in isort or by packages
that haven't been touched since we added requirements, but there are no functional changes in here.

* [x] add config to isort to make sure this is maintained going forward
2022-05-28 12:55:44 -04:00
snehring
326fa2392b
gaussian: adding tcsh dependency (#30096) 2022-04-19 01:50:44 -06:00
Todd Gamblin
93377942d1 Update copyright year to 2022 2022-01-14 22:50:21 -08:00
Todd Gamblin
24c01d57cf
imports: sort imports everywhere in Spack (#24695)
* fix remaining flake8 errors

* imports: sort imports everywhere in Spack

We enabled import order checking in #23947, but fixing things manually drives
people crazy. This used `spack style --fix --all` from #24071 to automatically
sort everything in Spack so PR submitters won't have to deal with it.

This should go in after #24071, as it assumes we're using `isort`, not
`flake8-import-order` to order things. `isort` seems to be more flexible and
allows `llnl` mports to be in their own group before `spack` ones, so this
seems like a good switch.
2021-07-08 22:12:30 +00:00
Todd Gamblin
a8ccb8e116 copyrights: update all files with license headers for 2021
- [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
2021-01-02 12:12:00 -08:00
Antonio Arena
4118a01774
Install gaussian using their scripts (#16723)
* 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>
2020-05-20 22:34:03 -05:00
Todd Gamblin
4af6303086
copyright: update copyright dates for 2020 (#14328) 2019-12-30 22:36:56 -08:00
Adam J. Stewart
ab98ef1765
Mass conversion of setup_(dependent_)?environment (#13924)
* Mass conversion of setup_(dependent_)?environment

* prefix -> self.prefix
2019-11-29 15:00:44 -06:00
Todd Gamblin
64bdc3251f checksums: enforce that all mainline packages use sha256 checksums
- 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.
2019-10-12 07:19:43 -07:00
Todd Gamblin
6f50cd52ed copyright: update license headers for 2013-2019 copyright. 2019-01-01 00:44:28 -08:00
Todd Gamblin
eea786f4e8 relicense: replace LGPL headers with Apache-2.0/MIT SPDX headers
- 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
2018-10-17 14:42:06 -07:00
Adam J. Stewart
73c978ddd9 install_tree, copy_tree can install into existing directory structures (#8289)
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.
2018-08-15 09:30:09 -07:00
Todd Gamblin
54f97d1dec
Update copyright on LLNL files for 2018. (#7592) 2018-03-24 12:13:52 -07:00
Todd Gamblin
05fa302655
Replace github.com/llnl/spack with github.com/spack/spack (#6142)
We moved to a new GitHub org! Now make the code and docs reflect that.
2017-11-04 17:08:04 -07:00
Michael Kuhn
84ae7872d3 Update copyright notices for 2017 (#5295) 2017-09-06 17:44:16 -10:00
zenln
6d2092e1eb Add a new package for gaussian (#5149)
* 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
2017-08-17 18:33:44 -05:00