Commit graph

17 commits

Author SHA1 Message Date
Markus Kowalewski 40f276c07d
openmolcas: 20.10 -> 21.02 2021-05-19 13:44:46 +02:00
Markus Kowalewski d23e5ca0b4
openmolcas: fix license 2021-02-01 13:28:51 +01:00
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
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
Ben Siraphob 3ae5e6ce03 treewide: remove enableParallelBuilding = true if using cmake 2021-01-03 18:37:40 +07:00
Markus Kowalewski 1ba79ed57f
openmolcas: set platform to x86-64-linux
This is the main development platforms. Others are not
officially supported.
2020-12-26 16:58:58 +01:00
Markus Kowalewski c3fadb95f4
openmolcas: fix fallout from #83888
Removed non-functional lines.
Openmolcas does not build with the blas/lapack switching mechanism
2020-12-26 01:55:46 +01:00
Markus Kowalewski e90cff90f1
openmolcas: fix hash 2020-11-30 23:05:14 +01:00
Markus Kowalewski 2eee4e4eac
openmolcas: 19.11 -> 20.10 2020-10-19 14:13:08 +02:00
Markus Kowalewski 8b02ff6b8e
openmolcas: fix build w.r.t. openblas
Fall out from switching openblas over to multiple outputs:
https://github.com/NixOS/nixpkgs/pull/98337
2020-10-19 14:00:48 +02:00
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
Michael Reilly 84cf00f980
treewide: Per RFC45, remove all unquoted URLs 2020-04-10 17:54:53 +01:00
Markus Kowalewski a74b248f06
openmolcas: 18.09 -> 19.11 2020-01-07 15:36:59 +01:00
volth c814d72b51 treewide: name -> pname 2019-08-17 10:54:38 +00:00
volth f3282c8d1e treewide: remove unused variables (#63177)
* treewide: remove unused variables

* making ofborg happy
2019-06-16 19:59:05 +00:00
markuskowa 6f6222c40f openmolcas: 20180529 -> 18.09 (#47410) 2018-09-27 10:47:02 +02:00
Markus Kowalewski 484473b184
openmolcas: init at 20180529 2018-08-02 10:18:17 +02:00