21 Commits (bcb22e9a7bb8a6d535d7045bf879910f18157771)

Author	SHA1	Message	Date
Markus Kowalewski	45083c5d1d	openmolcas: 21.10 -> 22.02 ... * make MPI optional instead of default * allow optional MKL build/switch wrapped BLAS interface	2 years ago
Phillip Seeber	c810f7befc	openmolcas: 20.06 -> 20.10	3 years ago
Markus Kowalewski	eecadd3f3b	openmolcas: move gfortran to nativeBuildInputs	3 years ago
Markus Kowalewski	d26039d43b	openmolcas: 21.02 -> 21.06	3 years ago
Markus Kowalewski	40f276c07d	openmolcas: 20.10 -> 21.02	3 years ago
Markus Kowalewski	d23e5ca0b4	openmolcas: fix license	3 years ago
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 }	3 years ago
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	3 years ago
Ben Siraphob	3ae5e6ce03	treewide: remove enableParallelBuilding = true if using cmake	3 years ago
Markus Kowalewski	1ba79ed57f	openmolcas: set platform to x86-64-linux ... This is the main development platforms. Others are not officially supported.	3 years ago
Markus Kowalewski	c3fadb95f4	openmolcas: fix fallout from #83888 ... Removed non-functional lines. Openmolcas does not build with the blas/lapack switching mechanism	3 years ago
Markus Kowalewski	e90cff90f1	openmolcas: fix hash	4 years ago
Markus Kowalewski	2eee4e4eac	openmolcas: 19.11 -> 20.10	4 years ago
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	4 years ago
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	4 years ago
Michael Reilly	84cf00f980	treewide: Per RFC45, remove all unquoted URLs	4 years ago
Markus Kowalewski	a74b248f06	openmolcas: 18.09 -> 19.11	4 years ago
volth	c814d72b51	treewide: name -> pname	5 years ago
volth	f3282c8d1e	treewide: remove unused variables (#63177) ... * treewide: remove unused variables * making ofborg happy	5 years ago
markuskowa	6f6222c40f	openmolcas: 20180529 -> 18.09 (#47410)	6 years ago
Markus Kowalewski	484473b184	openmolcas: init at 20180529	6 years ago