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| author | Markus Kowalewski <markus.kowalewski@fysik.su.se> | 2020-01-07 15:36:59 +0100 |
|---|---|---|
| committer | Markus Kowalewski <markus.kowalewski@fysik.su.se> | 2020-01-07 15:36:59 +0100 |
| commit | a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09 (patch) | |
| tree | 4c9f1911f4138bb3e54067dcf01a82926b68abf3 /pkgs/applications/science | |
| parent | 7e3d864873e40cdac0a66ab3e99777b54712fbe3 (diff) | |
| download | nixpkgs-a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09.tar nixpkgs-a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09.tar.gz nixpkgs-a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09.tar.bz2 nixpkgs-a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09.tar.lz nixpkgs-a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09.tar.xz nixpkgs-a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09.tar.zst nixpkgs-a74b248f0650d6dc77f8f5ca82ac619c6ab2ff09.zip | |
openmolcas: 18.09 -> 19.11
Diffstat (limited to 'pkgs/applications/science')
| -rw-r--r-- | pkgs/applications/science/chemistry/openmolcas/default.nix | 16 |
1 files changed, 13 insertions, 3 deletions
diff --git a/pkgs/applications/science/chemistry/openmolcas/default.nix b/pkgs/applications/science/chemistry/openmolcas/default.nix index 487558a23c1..d73e86d2f57 100644 --- a/pkgs/applications/science/chemistry/openmolcas/default.nix +++ b/pkgs/applications/science/chemistry/openmolcas/default.nix @@ -1,11 +1,11 @@ { stdenv, fetchFromGitLab, cmake, gfortran, perl , openblas, hdf5-cpp, python3, texlive , armadillo, openmpi, globalarrays, openssh -, makeWrapper +, makeWrapper, fetchpatch } : let - version = "18.09"; + version = "19.11"; gitLabRev = "v${version}"; python = python3.withPackages (ps : with ps; [ six pyparsing ]); @@ -18,9 +18,19 @@ in stdenv.mkDerivation { owner = "Molcas"; repo = "OpenMolcas"; rev = gitLabRev; - sha256 = "1di1ygifx7ycfpwh25mv76xlv15wqfdmqzjsg5nani2d5z0arri2"; + sha256 = "1wwqhkyyi7pw5x1ghnp83ir17zl5jsj7phhqxapybyi3bmg0i00q"; }; + patches = [ (fetchpatch { + name = "Fix-MPI-INT-size"; # upstream patch, fixes a Fortran compiler error + url = "https://gitlab.com/Molcas/OpenMolcas/commit/860e3350523f05ab18e49a428febac8a4297b6e4.patch"; + sha256 = "0h96h5ikbi5l6ky41nkxmxfhjiykkiifq7vc2s3fdy1r1siv09sb"; + }) (fetchpatch { + name = "fix-cisandbox"; # upstream patch, fixes a Fortran compiler error + url = "https://gitlab.com/Molcas/OpenMolcas/commit/d871590c8ce4689cd94cdbbc618954c65589393d.patch"; + sha256 = "0dgz1w2rkglnis76spai3m51qa72j4bz6ppnk5zmzrr6ql7gwpgg"; + })]; + nativeBuildInputs = [ perl cmake texlive.combined.scheme-minimal makeWrapper ]; buildInputs = [ gfortran |