openmolcas: move override to package.nix (#495839)
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@@ -15,7 +15,7 @@
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libxc,
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makeWrapper,
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gsl,
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boost,
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boost188,
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autoPatchelfHook,
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enableQcmaquis ? true,
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# Note that the CASPT2 module is broken with MPI
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@@ -29,6 +29,7 @@ assert blas-ilp64.isILP64;
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assert lapack-ilp64.isILP64;
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let
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boost = boost188;
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python = python3.withPackages (
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ps: with ps; [
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six
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@@ -11597,10 +11597,6 @@ with pkgs;
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hdf5 = hdf5-fortran;
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};
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openmolcas = callPackage ../by-name/op/openmolcas/package.nix {
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boost = boost188;
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};
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siesta-mpi = callPackage ../by-name/si/siesta/package.nix { useMpi = true; };
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### SCIENCE/BIOLOGY
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