From 97102ad423fba2dc6258951550a7f594b6ba6778 Mon Sep 17 00:00:00 2001 From: Aliaksandr Date: Mon, 2 Mar 2026 15:53:47 +0200 Subject: [PATCH] openmolcas: move override to package.nix --- pkgs/by-name/op/openmolcas/package.nix | 3 ++- pkgs/top-level/all-packages.nix | 4 ---- 2 files changed, 2 insertions(+), 5 deletions(-) diff --git a/pkgs/by-name/op/openmolcas/package.nix b/pkgs/by-name/op/openmolcas/package.nix index 6bca06f11afa..e7de35123455 100644 --- a/pkgs/by-name/op/openmolcas/package.nix +++ b/pkgs/by-name/op/openmolcas/package.nix @@ -15,7 +15,7 @@ libxc, makeWrapper, gsl, - boost, + boost188, autoPatchelfHook, enableQcmaquis ? true, # Note that the CASPT2 module is broken with MPI @@ -29,6 +29,7 @@ assert blas-ilp64.isILP64; assert lapack-ilp64.isILP64; let + boost = boost188; python = python3.withPackages ( ps: with ps; [ six diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix index e6ef0add7e5f..1fd311ea128f 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -11601,10 +11601,6 @@ with pkgs; hdf5 = hdf5-fortran; }; - openmolcas = callPackage ../by-name/op/openmolcas/package.nix { - boost = boost188; - }; - siesta-mpi = callPackage ../by-name/si/siesta/package.nix { useMpi = true; }; ### SCIENCE/BIOLOGY