Abinit: Added package(s) (#1995)

* First version of Abinit package

* Ignore *.swp files

* Add libxc, etsf_io packages

* AtomPaw package

* Make Abinit depend on mpi@2: and external version of libxc, netcdf, hdf5, etsf_io

* etsf_io: install Fortran modules in prefix.include

* Remove etsf_io from abinit requirements

* Add libxc2.2.1 (required by Abinit and atompaw)

* Cleanup

* Run make check

* Cleanup

* Use ld_flags instead of hard-coded libs, fix pep8, add copyright

* Put scalapack before lapackblas
This commit is contained in:
gmatteo
2016-10-12 00:22:46 +02:00
committed by Todd Gamblin
parent 37d125b890
commit 949766d92e
5 changed files with 307 additions and 0 deletions

View File

@@ -34,6 +34,7 @@ class Libxc(Package):
version('3.0.0', '8227fa3053f8fc215bd9d7b0d36de03c')
version('2.2.2', 'd9f90a0d6e36df6c1312b6422280f2ec')
version('2.2.1', '38dc3a067524baf4f8521d5bb1cd0b8f')
def install(self, spec, prefix):
# Optimizations for the Intel compiler, suggested by CP2K