mirror of
https://github.com/NixOS/nixpkgs.git
synced 2026-09-18 05:39:58 +00:00
d-seams: 1.0.1 -> 2.10.0
This commit is contained in:
@@ -1,11 +0,0 @@
|
||||
diff --git a/src/include/external/cxxopts.hpp b/src/include/external/cxxopts.hpp
|
||||
--- a/src/include/external/cxxopts.hpp
|
||||
+++ b/src/include/external/cxxopts.hpp
|
||||
@@ -26,6 +26,7 @@ THE SOFTWARE.
|
||||
#define CXXOPTS_HPP_INCLUDED
|
||||
|
||||
#include <cctype>
|
||||
+#include <cstdint>
|
||||
#include <cstring>
|
||||
#include <exception>
|
||||
#include <iostream>
|
||||
@@ -1,78 +1,57 @@
|
||||
{
|
||||
clangStdenv,
|
||||
fetchFromGitHub,
|
||||
fetchpatch,
|
||||
catch2,
|
||||
rang,
|
||||
fmt,
|
||||
yaml-cpp,
|
||||
cmake,
|
||||
eigen,
|
||||
lua,
|
||||
luaPackages,
|
||||
liblapack,
|
||||
blas,
|
||||
lib,
|
||||
boost,
|
||||
gsl,
|
||||
stdenv,
|
||||
fetchFromGitHub,
|
||||
meson,
|
||||
ninja,
|
||||
pkg-config,
|
||||
eigen,
|
||||
blas,
|
||||
lapack,
|
||||
catch2_3,
|
||||
}:
|
||||
|
||||
clangStdenv.mkDerivation rec {
|
||||
version = "1.0.1";
|
||||
pname = "d-SEAMS";
|
||||
|
||||
strictDeps = false;
|
||||
stdenv.mkDerivation (finalAttrs: {
|
||||
pname = "d-seams";
|
||||
version = "2.10.0";
|
||||
|
||||
src = fetchFromGitHub {
|
||||
owner = "d-SEAMS";
|
||||
repo = "seams-core";
|
||||
rev = "v${version}";
|
||||
sha256 = "03zhhl9vhi3rhc3qz1g3zb89jksgpdlrk15fcr8xcz8pkj6r5b1i";
|
||||
tag = "v${finalAttrs.version}";
|
||||
hash = "sha256-gtDD0Nc3pC+7eLtH8h+c7j1E9OSGwUWip+Nu0LTOEmw=";
|
||||
};
|
||||
|
||||
patches = [
|
||||
(fetchpatch {
|
||||
name = "use_newer_cxxopts_which_builds_with_clang11.patch";
|
||||
url = "https://github.com/d-SEAMS/seams-core/commit/f6156057e43d0aa1a0df9de67d8859da9c30302d.patch";
|
||||
hash = "sha256-PLbT1lqdw+69lIHH96MPcGRjfIeZyb88vc875QLYyqw=";
|
||||
})
|
||||
# Add missing <cstdint> include for uint8_t in vendored cxxopts.
|
||||
./cxxopts-cstdint.patch
|
||||
];
|
||||
postPatch = ''
|
||||
substituteInPlace CMakeLists.txt \
|
||||
--replace-fail "cmake_minimum_required(VERSION 3.0 FATAL_ERROR)" "cmake_minimum_required(VERSION 3.10)"
|
||||
'';
|
||||
doCheck = true;
|
||||
strictDeps = true;
|
||||
__structuredAttrs = true;
|
||||
|
||||
nativeBuildInputs = [
|
||||
cmake
|
||||
lua
|
||||
luaPackages.luafilesystem
|
||||
meson
|
||||
ninja
|
||||
pkg-config
|
||||
];
|
||||
|
||||
buildInputs = [
|
||||
fmt
|
||||
rang
|
||||
yaml-cpp
|
||||
eigen
|
||||
catch2
|
||||
boost
|
||||
gsl
|
||||
liblapack
|
||||
blas
|
||||
lapack
|
||||
catch2_3
|
||||
];
|
||||
|
||||
mesonFlags = [
|
||||
"-Dwith_gpulite=disabled"
|
||||
"-Dwith_ira=disabled"
|
||||
"-Dwith_sphericart=disabled"
|
||||
"-Dwith_nauty=disabled"
|
||||
];
|
||||
|
||||
meta = {
|
||||
description = "Deferred Structural Elucidation Analysis for Molecular Simulations";
|
||||
mainProgram = "yodaStruct";
|
||||
longDescription = ''
|
||||
d-SEAMS, is a free and open-source postprocessing engine for the analysis
|
||||
of molecular dynamics trajectories, which is specifically able to
|
||||
qualitatively classify ice structures in both strong-confinement and bulk
|
||||
systems. The engine is in C++, with extensions via the Lua scripting
|
||||
interface.
|
||||
'';
|
||||
homepage = "https://dseams.info";
|
||||
license = lib.licenses.gpl3Plus;
|
||||
platforms = [ "x86_64-linux" ];
|
||||
maintainers = [ ];
|
||||
license = lib.licenses.mit;
|
||||
maintainers = with lib.maintainers; [ iedame ];
|
||||
platforms = lib.platforms.linux;
|
||||
mainProgram = "seams";
|
||||
};
|
||||
}
|
||||
})
|
||||
|
||||
Reference in New Issue
Block a user