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| author | Jen Herting <jen@herting.cc> | 2020-06-30 10:29:45 -0400 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-06-30 09:29:45 -0500 |
| commit | b329f10c7b22bad457c919d47d0a2cd8465ff8dc (patch) | |
| tree | 75f811bcd4a6f37fd76ba9b7ad8a1be4c3376d0f /var | |
| parent | 14894a7b092aca321d69b83dca3ed69bd6f3f5f8 (diff) | |
| download | spack-b329f10c7b22bad457c919d47d0a2cd8465ff8dc.tar.gz spack-b329f10c7b22bad457c919d47d0a2cd8465ff8dc.tar.bz2 spack-b329f10c7b22bad457c919d47d0a2cd8465ff8dc.tar.xz spack-b329f10c7b22bad457c919d47d0a2cd8465ff8dc.zip | |
[py-mdanalysis] new version and added dependencies (#16819)
* [py-mdanalysis] new version and added dependencies
Original commit message:
Author: Andrew Elble <aweits@rit.edu>
Date: Thu Nov 14 08:35:14 2019 -0500
mdanalysis
* [py-mdanalysis] python is type build/run
* [py-mdanalysis] updated numpy version requirement for all listed versions of py-mdanalysis
* [py-mdanalysis] updated biopython version requirement for all listed versions of py-mdanalysis
* [py-mdanalysis] updated py-griddataformats version requirement for all listed versions of py-mdanalysis
* [py-mdanalysis] gsd only required after version 1.17.0 and requires gsd@1.4.0
* [py-mdanalysis] only requires mmtf-python after version 0.16.0 and requires version 1.0.0
* [py-mdanalysis] has required py-joblib since version 0.16
* [py-mdanalysis] updated py-scipy version requirement for all listed versions of py-mdanalysis
* [py-mdanalysis] updated py-matplotlib version requirement for all listed versions of py-mdanalysis
* [py-mdanalysis] has required py-mock since version 0.18.0
* [py-mdanalysis] py-scikit-learn only required after version 0.16.0 and only for +analysis variant
* [py-mdanalysis] Reordered and reformatted for readability
* [py-mdanalysis] flake8 fixes
* [py-mdanalysis] proactively adding version 1.0.0 while I'm here since major release
* [py-mdanalysis] fixing some forgotten colons
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/py-mdanalysis/package.py | 46 |
1 files changed, 36 insertions, 10 deletions
diff --git a/var/spack/repos/builtin/packages/py-mdanalysis/package.py b/var/spack/repos/builtin/packages/py-mdanalysis/package.py index a419dff426..0651123ef3 100644 --- a/var/spack/repos/builtin/packages/py-mdanalysis/package.py +++ b/var/spack/repos/builtin/packages/py-mdanalysis/package.py @@ -16,6 +16,8 @@ class PyMdanalysis(PythonPackage): homepage = "http://www.mdanalysis.org" url = "https://pypi.io/packages/source/M/MDAnalysis/MDAnalysis-0.19.2.tar.gz" + version('1.0.0', sha256='f45a024aca45e390ff1c45ca90beb2180b78881be377e2a1aa9cd6c109bcfa81') + version('0.20.1', sha256='d04b71b193b9716d2597ffb9938b93f43487fa535da1bb5c1f2baccf356d7df9') version('0.19.2', sha256='c5395bbafa5efca2e1aee4715d26129844140c47cb8301da0293106cb969de7d') version('0.19.1', sha256='ff1d694f8598c0833ec340de6a6adb3b5e62b92d0fa94ee6401718ba972db3cc') version('0.19.0', sha256='248e3b37fc6150e31c609cc18a3927c32aee37b76d29cbfedf635e7e1aa982cf') @@ -31,18 +33,42 @@ class PyMdanalysis(PythonPackage): variant('amber', default=False, description='Support AMBER netcdf format.') - depends_on('python@2.7:') - depends_on('py-setuptools', type='build') + depends_on('python@2.7:', type=('build', 'run')) + + depends_on('py-setuptools', type='build') depends_on('py-cython@0.16:', type='build') - depends_on('py-numpy@1.5.0:', type=('build', 'run')) - depends_on('py-six@1.4.0:', type=('build', 'run')) - depends_on('py-biopython@1.59:', type=('build', 'run')) + + depends_on('py-six@1.4.0:', type=('build', 'run')) depends_on('py-networkx@1.0:', type=('build', 'run')) - depends_on('py-griddataformats@0.3.2:', type=('build', 'run')) - depends_on('py-matplotlib', when='+analysis', type=('build', 'run')) - depends_on('py-scipy', when='+analysis', type=('build', 'run')) - depends_on('py-seaborn', when='+analysis', type=('build', 'run')) + depends_on('py-gsd@1.4.0:', when='@1.17.0:', type=('build', 'run')) + depends_on('py-mmtf-python@1.0.0:', when='@0.16.0:', type=('build', 'run')) + depends_on('py-mock', when='@0.18.0:', type=('build', 'run')) + depends_on('py-tqdm@4.43.0:', when='@1.0.0:', type=('build', 'run')) + + depends_on('py-joblib', when='@0.16.0:0.20.1', type=('build', 'run')) + depends_on('py-joblib@0.12:', when='@1.0.0:', type=('build', 'run')) + + depends_on('py-numpy@1.5.0:', when='@:0.15.0', type=('build', 'run')) + depends_on('py-numpy@1.10.4:', when='@0.16.0:0.19.2', type=('build', 'run')) + depends_on('py-numpy@1.13.3:', when='@0.20.1:', type=('build', 'run')) + + depends_on('py-biopython@1.59:', when='@:0.17.0', type=('build', 'run')) + depends_on('py-biopython@1.71:', when='@0.18.0:', type=('build', 'run')) + + depends_on('py-griddataformats@0.3.2:', when='@:0.16.2', type=('build', 'run')) + depends_on('py-griddataformats@0.4:', when='@0.17.0:', type=('build', 'run')) + + depends_on('py-matplotlib', when='@:0.15.0+analysis', type=('build', 'run')) + depends_on('py-matplotlib@1.5.1:', when='@0.16.0:0.16.1+analysis', type=('build', 'run')) + depends_on('py-matplotlib@1.5.1:', when='@0.16.2:', type=('build', 'run')) + + depends_on('py-scipy', when='@:0.16.1+analysis', type=('build', 'run')) + depends_on('py-scipy', when='@0.16.2:0.17.0', type=('build', 'run')) + depends_on('py-scipy@1.0.0:', when='@0.18.0:', type=('build', 'run')) + + depends_on('py-scikit-learn', when='@0.16.0:+analysis', type=('build', 'run')) + depends_on('py-seaborn', when='+analysis', type=('build', 'run')) depends_on('py-netcdf4@1.0:', when='+amber', type=('build', 'run')) - depends_on('hdf5', when='+amber', type=('run')) + depends_on('hdf5', when='+amber', type=('run')) |