4118a01774
* 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> |
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| .github | ||
| bin | ||
| etc/spack/defaults | ||
| lib/spack | ||
| share/spack | ||
| var/spack | ||
| .codecov.yml | ||
| .coveragerc | ||
| .dockerignore | ||
| .flake8 | ||
| .flake8_packages | ||
| .gitattributes | ||
| .gitignore | ||
| .mailmap | ||
| .readthedocs.yml | ||
| .travis.yml | ||
| CHANGELOG.md | ||
| COPYRIGHT | ||
| LICENSE-APACHE | ||
| LICENSE-MIT | ||
| NOTICE | ||
| pytest.ini | ||
| README.md | ||
Spack
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:
- Slack workspace: spackpm.slack.com. To get an invitation, click here.
- Mailing list: groups.google.com/d/forum/spack
- Twitter: @spackpm. Be sure to
@mentionus!
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 Travis CI. To run these tests locally, and for helpful tips on git, see our Contribution Guide.
Spack uses a rough approximation of the
Git Flow
branching model. The develop branch contains the latest
contributions, and master is always tagged and points to the latest
stable release.
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:
- Todd Gamblin, Matthew P. LeGendre, Michael R. Collette, Gregory L. Lee, Adam Moody, Bronis R. de Supinski, and W. Scott Futral. The Spack Package Manager: Bringing Order to HPC Software Chaos. In Supercomputing 2015 (SC’15), Austin, Texas, November 15-20 2015. LLNL-CONF-669890.
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-647188