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authorJan Tojnar <jtojnar@gmail.com>2020-10-22 21:20:32 +0200
committerJan Tojnar <jtojnar@gmail.com>2020-10-22 21:20:32 +0200
commit3e01d383eed06fd4d86ea9385a2795000baab80c (patch)
tree5d801faa946b7116ac69e865f90ef1623e7cb7d8 /pkgs/applications/science
parente22e6d763a2dd6c73131820a0fbff817d393d7a4 (diff)
parentd13fc932cd213b2f7d50094fdcf7ef9b2e8439ab (diff)
Merge branch 'staging-next' into staging
Diffstat (limited to 'pkgs/applications/science')
-rw-r--r--pkgs/applications/science/chemistry/openmolcas/default.nix19
-rw-r--r--pkgs/applications/science/chemistry/openmolcas/openblasPath.patch12
-rw-r--r--pkgs/applications/science/logic/coq/default.nix7
3 files changed, 24 insertions, 14 deletions
diff --git a/pkgs/applications/science/chemistry/openmolcas/default.nix b/pkgs/applications/science/chemistry/openmolcas/default.nix
index 0d74e784d772..8bc62da3a310 100644
--- a/pkgs/applications/science/chemistry/openmolcas/default.nix
+++ b/pkgs/applications/science/chemistry/openmolcas/default.nix
@@ -7,7 +7,7 @@
assert blas.implementation == "openblas" && lapack.implementation == "openblas";
let
- version = "19.11";
+ version = "20.10";
gitLabRev = "v${version}";
python = python3.withPackages (ps : with ps; [ six pyparsing ]);
@@ -20,18 +20,13 @@ in stdenv.mkDerivation {
owner = "Molcas";
repo = "OpenMolcas";
rev = gitLabRev;
- sha256 = "1wwqhkyyi7pw5x1ghnp83ir17zl5jsj7phhqxapybyi3bmg0i00q";
+ sha256 = "1w8av44dx5r9yp2xhf9ypdrhappvk984wrd5pa1ww0qv6j2446ic";
};
- patches = [ (fetchpatch {
- name = "Fix-MPI-INT-size"; # upstream patch, fixes a Fortran compiler error
- url = "https://gitlab.com/Molcas/OpenMolcas/commit/860e3350523f05ab18e49a428febac8a4297b6e4.patch";
- sha256 = "0h96h5ikbi5l6ky41nkxmxfhjiykkiifq7vc2s3fdy1r1siv09sb";
- }) (fetchpatch {
- name = "fix-cisandbox"; # upstream patch, fixes a Fortran compiler error
- url = "https://gitlab.com/Molcas/OpenMolcas/commit/d871590c8ce4689cd94cdbbc618954c65589393d.patch";
- sha256 = "0dgz1w2rkglnis76spai3m51qa72j4bz6ppnk5zmzrr6ql7gwpgg";
- })];
+ patches = [
+ # Required to handle openblas multiple outputs
+ ./openblasPath.patch
+];
nativeBuildInputs = [ perl cmake texlive.combined.scheme-minimal makeWrapper ];
buildInputs = [
@@ -55,7 +50,7 @@ in stdenv.mkDerivation {
"-DTOOLS=ON"
"-DHDF5=ON"
"-DFDE=ON"
- "-DOPENBLASROOT=${openblas}"
+ "-DOPENBLASROOT=${openblas.dev}"
];
GAROOT=globalarrays;
diff --git a/pkgs/applications/science/chemistry/openmolcas/openblasPath.patch b/pkgs/applications/science/chemistry/openmolcas/openblasPath.patch
new file mode 100644
index 000000000000..e47adcc3e9a3
--- /dev/null
+++ b/pkgs/applications/science/chemistry/openmolcas/openblasPath.patch
@@ -0,0 +1,12 @@
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 276ae4e2..db13e6e3 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -1507,7 +1507,6 @@ if (LINALG STREQUAL "OpenBLAS")
+ NAMES openblas
+ PATHS ${OPENBLASROOT}
+ PATH_SUFFIXES lib
+- NO_DEFAULT_PATH
+ )
+
+ if (NOT LIBOPENBLAS)
diff --git a/pkgs/applications/science/logic/coq/default.nix b/pkgs/applications/science/logic/coq/default.nix
index 946cba41b143..9b7e007ce503 100644
--- a/pkgs/applications/science/logic/coq/default.nix
+++ b/pkgs/applications/science/logic/coq/default.nix
@@ -109,7 +109,7 @@ self = stdenv.mkDerivation {
nativeBuildInputs = [ pkgconfig ]
++ stdenv.lib.optional (!versionAtLeast "8.6") gnumake42
;
- buildInputs = [ ncurses ocamlPackages.ocaml ocamlPackages.findlib ]
+ buildInputs = [ ncurses ]
++ stdenv.lib.optional (!versionAtLeast "8.10") ocamlPackages.camlp5
++ stdenv.lib.optional (!versionAtLeast "8.12") ocamlPackages.num
++ stdenv.lib.optionals buildIde
@@ -117,7 +117,10 @@ self = stdenv.mkDerivation {
then [ ocamlPackages.lablgtk3-sourceview3 glib gnome3.defaultIconTheme wrapGAppsHook ]
else [ ocamlPackages.lablgtk ]);
- propagatedBuildInputs = stdenv.lib.optional (versionAtLeast "8.12") ocamlPackages.num;
+ propagatedBuildInputs = [ ocamlPackages.ocaml ocamlPackages.findlib ]
+ ++ stdenv.lib.optional (versionAtLeast "8.12") ocamlPackages.num;
+
+ propagatedUserEnvPkgs = [ ocamlPackages.ocaml ocamlPackages.findlib ];
postPatch = ''
UNAME=$(type -tp uname)