Added a package for the MDAnalysis toolkit. (#3576)

* Added a package for the MDAnalysis toolkit.

* Added the dependency on setuptools.

* Added the rest of the dependencies to the py-mdanalysis package.  Also
added the griddataformats and seaborn packages to satisfy requirements.

* Removed seaborn package since it has been recently added.

* Fixed flake8 error

* Removed inadvertent commits.

* Cleaned up reviewers feedback.
This commit is contained in:
Brian Van Essen
2017-04-10 19:02:32 -07:00
committed by Adam J. Stewart
parent 4627655704
commit 808e9b4649
4 changed files with 103 additions and 1 deletions

View File

@@ -68,6 +68,7 @@ class Elemental(CMakePackage):
# Hack to forward variant to openblas package
# Allow Elemental to build internally when using 8-byte ints
depends_on('openblas +openmp', when='+openmp_blas ~int64_blas')
# Note that this forces us to use OpenBLAS until #1712 is fixed
depends_on('lapack', when='~openmp_blas')
depends_on('metis')