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Merge pull request #145614 from sheepforce/openmolcas

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openmolcas: 21.06 -> 21.10
This commit is contained in:
markuskowa 2021-11-12 13:26:38 +01:00 committed by GitHub
commit db93862a2c
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1 changed files with 6 additions and 4 deletions
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10
pkgs/applications/science/chemistry/openmolcas/default.nix
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@ -5,9 +5,9 @@
} :
let
version = "21.06";
version = "21.10";
# The tag keeps moving, fix a hash instead
gitLabRev = "dd982ad4bc94dec8ac1e3e99cb6a7dd249ff71de";
gitLabRev = "117305462bac932106e8e3a0347238b768bcb058";
python = python3.withPackages (ps : with ps; [ six pyparsing ]);
@ -19,7 +19,7 @@ in stdenv.mkDerivation {
owner = "Molcas";
repo = "OpenMolcas";
rev = gitLabRev;
sha256 = "07dm73n0s7ckif561yb3s9yqxsv39a73kb9qwny4yp39wdvv52hz";
sha256 = "sha256-GMi2dsNBog+TmpmP6fhQcp6Z5Bh2LelV//MqLnvRP5c=";
};
patches = [
@ -56,7 +56,9 @@ in stdenv.mkDerivation {
"-DOPENBLASROOT=${openblas.dev}"
];
GAROOT=globalarrays;
preConfigure = ''
export GAROOT=${globalarrays};
'';
postConfigure = ''
# The Makefile will install pymolcas during the build grrr.