3f24188d19
* wannier90: add versions 3.0.0 and 3.1.0 and 'shared variant'
Added versions 3.0.0 and 3.1.0
Added shared variant
Added url_for_version function as versions less than 3 are from the
wannier.org site and versions 3 and up are from github.com
Added the MPI libraries to the list of libs substituted into the make.sys file
in place of @LIBS
Made it possible to build a shared object version of the library for versions
< 3 by filtering the src/Makefile.2 file (based off of the patch from a src rpm
from RHEL for version 2.0.1)
Create a modules directory in the install prefix root directory and copy the
Fortran .mod files there.
Set the MPIFC variable to the Spack Fortran MPI compiler wrapper.
* abinit: added 'wannier90' variant which enables building abinit with wannier90
Added wannier90 variant
Made abinit depend on the shared object ('shared') variant of
wannier90 if the wannier90 variant is selected
Add configure args for wannier90 libs, includes, and binaries and to
set MPIFC
set the dft-flavor to wannier90 when wannier90 is enabled and only
set the dft flavor to 'atompaw+libxc' if wannier90 is not selected
* Update var/spack/repos/builtin/packages/abinit/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* incorporated bbecker's suggestion for making the strings less ugly!
* incorporated bbecker's suggestion to fix the logic for picking which
"DFT flavor" configure argument.
If the wannier variant is enabled, it passes --with-dft-flavor=wannier90
to configure, otherwise it passes --with-dft-flavor=atompaw+libxc to configure
* Changed to using plain strings
* Fixed version tests
* incorporated @adamjstewart's fix for testing if the major version is > 2
* incorporated @adamjstewart's fix to check if mpi is enabled and
only set the MPIFC variable if it is.
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Only set MPIFC if '+mpi' is set
* incorporated fixes from @adamjstewart including:
- using the string=True argument to filter_file (and removed the unneeded
escapes)
- changing the url to the github location
- fixing the version checks
- building a libwannier.dylib on darwin
* incorporated fixes suggested by @adamjstewart including:
- using the string=True argument to filter_file and cleaned up the escapes
- only pass the MPIFC argument to configure when '+mpi' is set
- chaned the url to the github site for Wannier090
- fixed the version checks
- build a 'libwannier.dylib' file when building the shared variant on darwin
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Greg Becker <becker33@llnl.gov>
* moved a configure argument from it's own '+mpi' check to under the lower one
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Cleaned up syntax as suggested by @adamjstewart
It looks *so much better* now! Thanks!
* removed unneeded import of 'find' from 'llnl.util.filesystem' package
as suggested by @adamjstewart
* Update var/spack/repos/builtin/packages/wannier90/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* incorporated changes from @adamjstewart
changed check to "if '@:2 +shared' in spec:" instead of a nested check of '@:2' and
'+shared'
removed unneeded joins used in filter_file and spliced the list of objs directly into
the filter_file call
used the dso_suffix instead of testing for darwin to determine the name of the
shared library
* removed whitespace from blank line
* fixed bug with '../../wannier90.x: .*' not being treated as a regexp. Thanks Adam!
* fixed missing whitespace when modifying Makefile.2
Co-authored-by: Greg Becker <becker33@llnl.gov>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
|
||
|---|---|---|
| .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'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:
- 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-811652