From 40f276c07d4a7999436bdbe82781d9a68bdd0737 Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Wed, 19 May 2021 13:04:20 +0200 Subject: [PATCH] openmolcas: 20.10 -> 21.02 --- .../science/chemistry/openmolcas/default.nix | 15 ++++++++++----- 1 file changed, 10 insertions(+), 5 deletions(-) diff --git a/pkgs/applications/science/chemistry/openmolcas/default.nix b/pkgs/applications/science/chemistry/openmolcas/default.nix index cc9202493b1..af646b514af 100644 --- a/pkgs/applications/science/chemistry/openmolcas/default.nix +++ b/pkgs/applications/science/chemistry/openmolcas/default.nix @@ -1,12 +1,13 @@ { lib, stdenv, fetchFromGitLab, cmake, gfortran, perl , openblas, hdf5-cpp, python3, texlive , armadillo, mpi, globalarrays, openssh -, makeWrapper, fetchpatch +, makeWrapper } : let - version = "20.10"; - gitLabRev = "v${version}"; + version = "21.02"; + # The tag keeps moving, fix a hash instead + gitLabRev = "41cee871945ac712e86ee971425a49a8fc60a936"; python = python3.withPackages (ps : with ps; [ six pyparsing ]); @@ -18,13 +19,13 @@ in stdenv.mkDerivation { owner = "Molcas"; repo = "OpenMolcas"; rev = gitLabRev; - sha256 = "0xr9plgb0cfmxxqmd3wrhvl0hv2jqqfqzxwzs1jysq2m9cxl314v"; + sha256 = "0cap53gy1wds2qaxbijw09fqhvfxphfkr93nhp9xdq84yxh4wzv6"; }; patches = [ # Required to handle openblas multiple outputs ./openblasPath.patch -]; + ]; nativeBuildInputs = [ perl cmake texlive.combined.scheme-minimal makeWrapper ]; buildInputs = [ @@ -57,6 +58,10 @@ in stdenv.mkDerivation { export PATH=$PATH:$out/bin ''; + postInstall = '' + mv $out/pymolcas $out/bin + ''; + postFixup = '' # Wrong store path in shebang (no Python pkgs), force re-patching sed -i "1s:/.*:/usr/bin/env python:" $out/bin/pymolcas