Commit Graph

15 Commits

Author SHA1 Message Date
github-actions[bot]
2ad7b248e6
Merge staging-next into staging 2021-09-17 00:02:15 +00:00
Felix Buehler
64bac8e874 quantum-espresso: switch to fetchFromGitLab 2021-09-15 23:13:57 +02:00
Markus Kowalewski
9eb814fd96
quantum-espresso: move gfortran to nativeBuildInputs 2021-09-03 13:33:31 +02:00
Lio李歐
51512d843a
quantum-espresso: enable on darwin 2021-03-03 19:40:47 -08:00
Markus Kowalewski
6dba41fbcb
mpi: use mpi attribute consistently as the default MPI implementations
Use the attribute mpi to provide a system wide default MPI
implementation. The default is openmpi (as before).
This now allows for overriding the MPI implentation by using
the overlay mechanism. Build all packages with mpich instead
of the default openmpi can now be achived like this:
self: super:
 {
   mpi = super.mpich;
 }

All derivations that have been using "mpi ? null" to provide optional
building with MPI have been change in the following way to allow for
optional builds with MPI:
{ ...
, mpi
, useMpi ? false
}
2021-01-23 12:15:13 +01:00
Ben Siraphob
badf51221d treewide: stdenv.lib -> lib 2021-01-16 17:58:11 +07:00
Profpatsch
4a7f99d55d treewide: with stdenv.lib; in meta -> with lib;
Part of: https://github.com/NixOS/nixpkgs/issues/108938

meta = with stdenv.lib;

is a widely used pattern. We want to slowly remove
the `stdenv.lib` indirection and encourage people
to use `lib` directly. Thus let’s start with the meta
field.

This used a rewriting script to mostly automatically
replace all occurances of this pattern, and add the
`lib` argument to the package header if it doesn’t
exist yet.

The script in its current form is available at
https://cs.tvl.fyi/depot@2f807d7f141068d2d60676a89213eaa5353ca6e0/-/blob/users/Profpatsch/nixpkgs-rewriter/default.nix
2021-01-11 10:38:22 +01:00
Markus Kowalewski
7139a58f50
quantum-espresso: 6.5 -> 6.6 2020-12-19 21:14:40 +01:00
Matthew Bauer
1c8aba8334 treewide: use blas and lapack
This makes packages use lapack and blas, which can wrap different
BLAS/LAPACK implementations.

treewide: cleanup from blas/lapack changes

A few issues in the original treewide:

- can’t assume blas64 is a bool
- unused commented code
2020-04-17 16:24:09 -05:00
R. RyanTM
56d58ecb24 quantum-espresso: 6.4.1 -> 6.5 2020-02-24 19:40:14 +00:00
volth
46420bbaa3 treewide: name -> pname (easy cases) (#66585)
treewide replacement of

stdenv.mkDerivation rec {
  name = "*-${version}";
  version = "*";

to pname
2019-08-15 13:41:18 +01:00
R. RyanTM
df3cdc29be quantum-espresso: 6.4 -> 6.4.1 (#62556) 2019-06-04 19:24:04 +00:00
Markus Kowalewski
c109aaa5cb
quantum-espresso: remove outdated makefile fix 2019-04-03 15:00:17 +02:00
R. RyanTM
882247fc3f quantum-espresso: 6.3 -> 6.4
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/quantum-espresso/versions
2019-04-02 15:30:36 -07:00
Chris Ostrouchov
2c7295ebe0
quantum-espresso: init at 6.3 2018-09-14 15:40:14 -04:00