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Merge pull request #178013 from markuskowa/upd-molcas

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openmolcas: 22.02 -> 22.06
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markuskowa 2022-06-17 17:03:13 +02:00 committed by GitHub
commit c04bd7e2e2
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1 changed files with 9 additions and 3 deletions
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12
pkgs/applications/science/chemistry/openmolcas/default.nix
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@ -15,14 +15,14 @@ let
in stdenv.mkDerivation { in stdenv.mkDerivation {
pname = "openmolcas"; pname = "openmolcas";
version = "22.02"; version = "22.06";
src = fetchFromGitLab { src = fetchFromGitLab {
owner = "Molcas"; owner = "Molcas";
repo = "OpenMolcas"; repo = "OpenMolcas";
# The tag keeps moving, fix a hash instead # The tag keeps moving, fix a hash instead
rev = "f8df69cf87b241a15ebc82d72a8f9a031a385dd4"; # 2022-02-10 rev = "17238da5c339c41ddf14ceb88f139d57143d7a14"; # 2022-06-17
sha256 = "0p2xj8kgqdk5kb1jv5k77acbiqkbl2sh971jnz9p00cmbh556r6a"; sha256 = "0g17x5fp27b57f7j284xl3b3i9c4b909q504wpz0ipb0mrcvcpdp";
}; };
patches = [ patches = [
@ -32,6 +32,12 @@ in stdenv.mkDerivation {
./MKL-MPICH.patch ./MKL-MPICH.patch
]; ];
postPatch = ''
# Using env fails in the sandbox
substituteInPlace Tools/pymolcas/export.py --replace \
"/usr/bin/env','python3" "python3"
'';
nativeBuildInputs = [ nativeBuildInputs = [
perl perl
gfortran gfortran