A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
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Glenn Johnson 1000deb5f9
Update abinit package (#23670)
This PR updates the abinit package. The underlying build system has
several changes from previous versions, which are reflected in the
package recipe.

- added version 9.4.2
- removed commented out code
- add new libxml2 variant, with dependency and conflicts
- add dependency on atompaw
- depend on fftw-api when ~openmp
  This allows other fftw implementations to be used. This PR adds MKL.
- depend on netcdf explicitly
- remove hdf5 variant as hdf5 is required
- only use wannier90 if +mpi as the wannier90 spack package is MPI only
- allow newer versions of libxc for abinit 9
- split configure options for versions before and after abinit 9
- always use MPI compiler wrappers
- add patch to remove march settings for version 9
- Set conflict for fftw~openmp if abinit+openmp
  This allows the virtual fftw-api to be used for the dependency. If fftw
  is the fftw-api provider then bail if fftw~openmp is set when
  abinit+openmp is used.
- Set conflicts for +openmp and mkl
- Be explicit about +mkl for intel-parallel-studio
- Add TODO entry for switching conflicts/depends_on logic
2021-05-22 15:35:58 +02:00
.github build tests: put an upper bound on the version of GCC being used (#23630) 2021-05-14 07:51:03 +00:00
bin Docs: Updated copyrights in files still using 2020 as ending year (#23215) 2021-04-22 22:23:09 -07:00
etc/spack/defaults Revert "Separable module configurations (#22588)" (#23674) 2021-05-17 06:42:48 -07:00
lib/spack Modification to R environment (#23623) 2021-05-21 09:34:15 +02:00
share/spack adding support to tag a build 2021-05-19 07:01:18 -07:00
var/spack Update abinit package (#23670) 2021-05-22 15:35:58 +02:00
.codecov.yml codecov: set project threshold to 0.2% (#18184) 2020-08-20 09:43:24 -05:00
.coveragerc coverage: add bin directory to coverage (#19530) 2020-10-26 16:23:22 -07:00
.dockerignore Docker: ignore var/spack/cache (source caches) when creating container (#23329) 2021-05-17 11:28:58 +02:00
.flake8 add mypy to style checks; rename spack flake8 to spack style (#20384) 2020-12-22 21:39:10 -08:00
.gitattributes linguist: update .gitattributes for better linguist parsing (#20639) 2020-12-31 16:48:50 -08:00
.gitignore Add .idea folder to the list of ignored files (#21685) 2021-02-16 07:32:27 -06:00
.mailmap Update mailmap (#22739) 2021-04-06 10:32:35 +02:00
.mypy.ini add mypy to style checks; rename spack flake8 to spack style (#20384) 2020-12-22 21:39:10 -08:00
.readthedocs.yml Updated Sphinx configuration (#11165) 2019-04-11 14:38:52 -07:00
CHANGELOG.md Update CHANGELOG and release version 2021-02-19 11:06:33 -08:00
COPYRIGHT sbang: vendor sbang 2020-10-28 17:43:23 -07:00
LICENSE-APACHE relicense: update COPYRIGHT, LICENSE-*, README, CONTRIBUTING, and NOTICE 2018-10-17 14:42:06 -07:00
LICENSE-MIT license: fix up MIT license so it's an exact match 2020-08-01 10:06:28 -07:00
NOTICE relicense: update COPYRIGHT, LICENSE-*, README, CONTRIBUTING, and NOTICE 2018-10-17 14:42:06 -07:00
pytest.ini Speed-up CI by reorganizing tests (#22247) 2021-03-16 08:16:31 -07:00
README.md Speed-up CI by reorganizing tests (#22247) 2021-03-16 08:16:31 -07:00

Spack Spack

Unit Tests Linux Builds macOS Builds (nightly) codecov Read the Docs Slack

Spack is a multi-platform package manager that builds and installs multiple versions and configurations of software. It works on Linux, macOS, and many supercomputers. Spack is non-destructive: installing a new version of a package does not break existing installations, so many configurations of the same package can coexist.

Spack offers a simple "spec" syntax that allows users to specify versions and configuration options. Package files are written in pure Python, and specs allow package authors to write a single script for many different builds of the same package. With Spack, you can build your software all the ways you want to.

See the Feature Overview for examples and highlights.

To install spack and your first package, make sure you have Python. Then:

$ git clone https://github.com/spack/spack.git
$ cd spack/bin
$ ./spack install zlib

Documentation

Full documentation is available, or run spack help or spack help --all.

Tutorial

We maintain a hands-on tutorial. It covers basic to advanced usage, packaging, developer features, and large HPC deployments. You can do all of the exercises on your own laptop using a Docker container.

Feel free to use these materials to teach users at your organization about Spack.

Community

Spack is an open source project. Questions, discussion, and contributions are welcome. Contributions can be anything from new packages to bugfixes, documentation, or even new core features.

Resources:

Contributing

Contributing to Spack is relatively easy. Just send us a pull request. When you send your request, make develop the destination branch on the Spack repository.

Your PR must pass Spack's unit tests and documentation tests, and must be PEP 8 compliant. We enforce these guidelines with our CI process. To run these tests locally, and for helpful tips on git, see our Contribution Guide.

Spack's develop branch has the latest contributions. Pull requests should target develop, and users who want the latest package versions, features, etc. can use develop.

Releases

For multi-user site deployments or other use cases that need very stable software installations, we recommend using Spack's stable releases.

Each Spack release series also has a corresponding branch, e.g. releases/v0.14 has 0.14.x versions of Spack, and releases/v0.13 has 0.13.x versions. We backport important bug fixes to these branches but we do not advance the package versions or make other changes that would change the way Spack concretizes dependencies within a release branch. So, you can base your Spack deployment on a release branch and git pull to get fixes, without the package churn that comes with develop.

The latest release is always available with the releases/latest tag.

See the docs on releases for more details.

Code of Conduct

Please note that Spack has a Code of Conduct. By participating in the Spack community, you agree to abide by its rules.

Authors

Many thanks go to Spack's contributors.

Spack was created by Todd Gamblin, tgamblin@llnl.gov.

Citing Spack

If you are referencing Spack in a publication, please cite the following paper:

License

Spack is distributed under the terms of both the MIT license and the Apache License (Version 2.0). Users may choose either license, at their option.

All new contributions must be made under both the MIT and Apache-2.0 licenses.

See LICENSE-MIT, LICENSE-APACHE, COPYRIGHT, and NOTICE for details.

SPDX-License-Identifier: (Apache-2.0 OR MIT)

LLNL-CODE-811652