diff --git a/pkgs/by-name/op/openmolcas/nevpt2.patch b/pkgs/by-name/op/openmolcas/nevpt2.patch index a2ad9071c120..c2af9edcbdee 100644 --- a/pkgs/by-name/op/openmolcas/nevpt2.patch +++ b/pkgs/by-name/op/openmolcas/nevpt2.patch @@ -1,24 +1,3 @@ ---- a/src/gctime.c -+++ b/src/gctime.c -@@ -1,14 +1,15 @@ -+#include - typedef long f77_int; /* Fortran integer type */ - typedef char * f77_char; /* Fortran character argument */ - #define CH_F2C(X) ((char *) (X)) /* How to get char ptr from F77 argument */ --gctime (fstr, lstr) f77_char *fstr; int lstr; { -+int gctime (fstr, lstr) f77_char *fstr; int lstr; { - long time(), t; - char *ctime(); - t = time ( (long *) 0); - strcpy(CH_F2C(fstr),ctime(&t)); - return (0); - } --gctime_(fstr, lstr) f77_char *fstr; int lstr; { -+int gctime_(fstr, lstr) f77_char *fstr; int lstr; { - long time(), t; - char *ctime(); - t = time ( (long *) 0); - --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -1,4 +1,4 @@ diff --git a/pkgs/by-name/op/openmolcas/package.nix b/pkgs/by-name/op/openmolcas/package.nix index 0c3bde714e77..d542e8263c30 100644 --- a/pkgs/by-name/op/openmolcas/package.nix +++ b/pkgs/by-name/op/openmolcas/package.nix @@ -54,8 +54,8 @@ let src = fetchFromGitHub { owner = "qcscine"; repo = "nevpt2"; - rev = "e1484fd4901ae93ab0188bde417cf5dc440a8a3b"; # Must match tag in cmake/custom/nevpt2.cmake - hash = "sha256-Vl+FhwhJBbD/7U2CwsYE9BClSQYLJ8DKXV9EXxQUmz0="; + rev = "65a36d7db403d3b97089106a3ccc15344bf6bc86"; # Must match tag in cmake/custom/nevpt2.cmake + hash = "sha256-Ah2CjzW80KtRJoFPGYIKcY/vbn4IEWGFdf1TctQ4wD0="; }; patches = [ ./nevpt2.patch ]; installPhase = '' @@ -67,13 +67,13 @@ let in stdenv.mkDerivation (finalAttrs: { pname = "openmolcas"; - version = "26.06"; + version = "26.10"; src = fetchFromGitLab { owner = "Molcas"; repo = "OpenMolcas"; rev = "v${finalAttrs.version}"; - hash = "sha256-y4eUfp8PIeWSuF4j9wT6C8z8rYFySUrNMa4ezI3/kXg="; + hash = "sha256-C67E4IrhVOkky1VsnbXykLKQDjToFpge587B0YJFV2c="; }; patches = [ @@ -83,7 +83,7 @@ stdenv.mkDerivation (finalAttrs: { postPatch = '' # Using env fails in the sandbox - substituteInPlace Tools/pymolcas/export.py --replace \ + substituteInPlace Tools/pymolcas/export.py --replace-fail \ "/usr/bin/env','python3" "python3" # Pointing CMake to local QCMaquis and NEVPT2 archives