diff options
Diffstat (limited to 'pkgs/applications/science/chemistry/openmolcas/default.nix')
| -rw-r--r-- | pkgs/applications/science/chemistry/openmolcas/default.nix | 12 |
1 files changed, 9 insertions, 3 deletions
diff --git a/pkgs/applications/science/chemistry/openmolcas/default.nix b/pkgs/applications/science/chemistry/openmolcas/default.nix index c5f60c395ae27..52dd025bf0273 100644 --- a/pkgs/applications/science/chemistry/openmolcas/default.nix +++ b/pkgs/applications/science/chemistry/openmolcas/default.nix @@ -15,14 +15,14 @@ let in stdenv.mkDerivation { pname = "openmolcas"; - version = "22.02"; + version = "22.06"; src = fetchFromGitLab { owner = "Molcas"; repo = "OpenMolcas"; # The tag keeps moving, fix a hash instead - rev = "f8df69cf87b241a15ebc82d72a8f9a031a385dd4"; # 2022-02-10 - sha256 = "0p2xj8kgqdk5kb1jv5k77acbiqkbl2sh971jnz9p00cmbh556r6a"; + rev = "17238da5c339c41ddf14ceb88f139d57143d7a14"; # 2022-06-17 + sha256 = "0g17x5fp27b57f7j284xl3b3i9c4b909q504wpz0ipb0mrcvcpdp"; }; patches = [ @@ -32,6 +32,12 @@ in stdenv.mkDerivation { ./MKL-MPICH.patch ]; + postPatch = '' + # Using env fails in the sandbox + substituteInPlace Tools/pymolcas/export.py --replace \ + "/usr/bin/env','python3" "python3" + ''; + nativeBuildInputs = [ perl gfortran |