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author | Alyssa Ross <hi@alyssa.is> | 2024-02-26 16:20:28 +0100 |
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committer | Alyssa Ross <hi@alyssa.is> | 2024-02-26 16:20:28 +0100 |
commit | 647438344bfc1f77791391e2b4f98eef865c63dc (patch) | |
tree | ef580867fc6cc413940e4330d939cf1afda082cb /nixpkgs/pkgs/development/libraries/science | |
parent | b084c6a0fab7f32c904c5c8e8db8dddcefbe507f (diff) | |
parent | e3474e1d1e53b70e2b2af73ea26d6340e82f6b8b (diff) | |
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Merge commit 'e3474e1d1e53'
Diffstat (limited to 'nixpkgs/pkgs/development/libraries/science')
3 files changed, 34 insertions, 4 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix index 7966cd4be5f6..e50bde243e85 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix @@ -1,4 +1,4 @@ -{ lib, stdenv, fetchFromGitHub, cmake, zlib, eigen, libGL, doxygen, spglib +{ lib, stdenv, fetchFromGitHub, fetchpatch, cmake, zlib, eigen, libGL, doxygen, spglib , mmtf-cpp, glew, python3, libarchive, libmsym, msgpack, qttools, wrapQtAppsHook }: @@ -18,26 +18,43 @@ let rev = "1.0.1"; sha256 = "sH/WuvLaYu6akOc3ssAKhnxD8KNoDxuafDSozHqJZC4="; }; + fragmentsRepo = fetchFromGitHub { + owner = "OpenChemistry"; + repo = "fragments"; + rev = "8dc711a59d016604b3e9b6d59dec178b8e6ccd36"; + hash = "sha256-Valc5zwlaZ//eDupFouCfWCeID7/4ObU1SDLFJ/mo/g="; + }; in stdenv.mkDerivation rec { pname = "avogadrolibs"; - version = "1.98.1"; + version = "1.99.0"; src = fetchFromGitHub { owner = "OpenChemistry"; repo = pname; rev = version; - hash = "sha256-BuBMWW7N5Cu9tw5Vpwk+aoIaMWwHViRzLtIG7XDWjN4="; + hash = "sha256-3jUbzEd7tUeHlVFAO9KJ+LOQlkLzJQvwmHp8gOriZRI="; }; postUnpack = '' cp -r ${moleculesRepo} molecules cp -r ${crystalsRepo} crystals + cp -r ${fragmentsRepo} fragments ''; + patches = [ + # Fix a Cmake error when searching the fragments directory. + # Can be removed upon next release + (fetchpatch { + url = "https://github.com/OpenChemistry/avogadrolibs/commit/6e2e84dbb088a40d69117c1836f4306792f57acd.patch"; + hash = "sha256-0tY9kHh6e5IDZQ8cWPgTpwIBhfZQlgUEZbPHOmtOVUQ="; + }) + ]; + nativeBuildInputs = [ cmake wrapQtAppsHook + pythonWP ]; buildInputs = [ diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/fragments.patch b/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/fragments.patch new file mode 100644 index 000000000000..0f886a8a63a5 --- /dev/null +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/avogadrolibs/fragments.patch @@ -0,0 +1,13 @@ +diff --git a/avogadro/qtplugins/templatetool/CMakeLists.txt b/avogadro/qtplugins/templatetool/CMakeLists.txt +index 3f68e6dd..822de4e5 100644 +--- a/avogadro/qtplugins/templatetool/CMakeLists.txt ++++ b/avogadro/qtplugins/templatetool/CMakeLists.txt +@@ -24,7 +24,7 @@ avogadro_plugin(TemplateTool + ) + + # Install the fragments +-set(_fragments "${AvogadroLibs_SOURCE_DIR}/../fragments") ++set(_fragments "${AvogadroLibs_SOURCE_DIR}/fragments") + + # Look in parallel directory for the molecule fragment repository + if(NOT EXISTS "${_fragments}") diff --git a/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix b/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix index b5e2f4b80d3b..639497bb1f8c 100644 --- a/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/math/itpp/default.nix @@ -28,7 +28,7 @@ stdenv.mkDerivation rec { ]; cmakeFlags = [ - "-DCMAKE_CXX_FLAGS=-std=c++11" + "-DCMAKE_CXX_FLAGS=-std=c++14" "-DBLAS_FOUND:BOOL=TRUE" "-DBLAS_LIBRARIES:STRING=${blas}/lib/libblas.so" "-DLAPACK_FOUND:BOOL=TRUE" |