openmolcas: move override to package.nix (#495839)

This commit is contained in:
Gergő Gutyina
2026-03-02 22:19:33 +00:00
committed by GitHub
2 changed files with 2 additions and 5 deletions
+2 -1
View File
@@ -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
-4
View File
@@ -11597,10 +11597,6 @@ 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