From ead47f075a44af622ed1888a1599d21fbd480fbb Mon Sep 17 00:00:00 2001
From: Rohit Goswami <rgoswami@ieee.org>
Date: Fri, 26 Jun 2020 13:33:39 +0000
Subject: [PATCH 1/3] rang: init at v3.1.0

---
 pkgs/development/libraries/rang/default.nix | 19 +++++++++++++++++++
 pkgs/top-level/all-packages.nix             |  2 ++
 2 files changed, 21 insertions(+)
 create mode 100644 pkgs/development/libraries/rang/default.nix

diff --git a/pkgs/development/libraries/rang/default.nix b/pkgs/development/libraries/rang/default.nix
new file mode 100644
index 000000000000..b3d300baca2e
--- /dev/null
+++ b/pkgs/development/libraries/rang/default.nix
@@ -0,0 +1,19 @@
+{ stdenv, fetchFromGitHub, cmake }:
+stdenv.mkDerivation rec {
+  pname = "rang";
+  version = "v3.1.0";
+  src = fetchFromGitHub {
+    "owner" = "agauniyal";
+    repo = "rang";
+    "rev" = "cabe04d6d6b05356fa8f9741704924788f0dd762";
+    "sha256" = "0v2pz0l2smagr3j4abjccshg4agaccfz79m5ayvrvqq5d4rlds0s";
+  };
+  nativeBuildInputs = [ cmake ];
+  meta = with stdenv.lib; {
+    description =
+      "A Minimal, Header only Modern c++ library for terminal goodies";
+    homepage = "https://agauniyal.github.io/rang/";
+    license = licenses.unlicense;
+    maintainers = [ maintainers.HaoZeke ];
+  };
+}
diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix
index e18ffb2b72ec..4ad39d7a228b 100644
--- a/pkgs/top-level/all-packages.nix
+++ b/pkgs/top-level/all-packages.nix
@@ -14016,6 +14016,8 @@ in
 
   libyamlcpp = callPackage ../development/libraries/libyaml-cpp { };
 
+  rang = callPackage ../development/libraries/rang { };
+
   libyamlcpp_0_3 = pkgs.libyamlcpp.overrideAttrs (oldAttrs: {
     src = pkgs.fetchurl {
       url = "https://github.com/jbeder/yaml-cpp/archive/release-0.3.0.tar.gz";

From 06ffe1d00fc49657f3c7b5f37e2595d8d566edb7 Mon Sep 17 00:00:00 2001
From: Rohit Goswami <rgoswami@ieee.org>
Date: Fri, 26 Jun 2020 13:35:52 +0000
Subject: [PATCH 2/3] maintainers: Update 4336207 with keys

---
 maintainers/maintainer-list.nix | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/maintainers/maintainer-list.nix b/maintainers/maintainer-list.nix
index e717d74ca6e9..ac62a53258ab 100644
--- a/maintainers/maintainer-list.nix
+++ b/maintainers/maintainer-list.nix
@@ -3253,6 +3253,10 @@
     github = "haozeke";
     githubId = 4336207;
     name = "Rohit Goswami";
+    keys = [{
+      longkeyid = "rsa4096/0x9CCCE36402CB49A6";
+      fingerprint = "74B1 F67D 8E43 A94A 7554  0768 9CCC E364 02CB 49A6";
+    }];
   };
   haslersn = {
     email = "haslersn@fius.informatik.uni-stuttgart.de";

From 620f9049aed53a608e6c6c8f4b232994a0361359 Mon Sep 17 00:00:00 2001
From: Rohit Goswami <rgoswami@ieee.org>
Date: Fri, 26 Jun 2020 13:47:03 +0000
Subject: [PATCH 3/3] d-seams: init at 1.0.1

---
 .../science/chemistry/d-seams/default.nix     | 34 +++++++++++++++++++
 pkgs/top-level/all-packages.nix               |  2 ++
 2 files changed, 36 insertions(+)
 create mode 100644 pkgs/applications/science/chemistry/d-seams/default.nix

diff --git a/pkgs/applications/science/chemistry/d-seams/default.nix b/pkgs/applications/science/chemistry/d-seams/default.nix
new file mode 100644
index 000000000000..1c6395637573
--- /dev/null
+++ b/pkgs/applications/science/chemistry/d-seams/default.nix
@@ -0,0 +1,34 @@
+{ clangStdenv, stdenv, fetchFromGitHub, catch2, rang, fmt, libyamlcpp, cmake
+, eigen, lua, luaPackages, liblapack, blas, lib, boost, gsl }:
+
+clangStdenv.mkDerivation rec {
+  version = "v1.0.1";
+  pname = "d-SEAMS";
+
+  src = fetchFromGitHub {
+    owner = "d-SEAMS";
+    repo = "seams-core";
+    rev = "v1.0.1";
+    sha256 = "03zhhl9vhi3rhc3qz1g3zb89jksgpdlrk15fcr8xcz8pkj6r5b1i";
+  };
+
+  enableParallelBuilding = true;
+  nativeBuildInputs = [ cmake lua luaPackages.luafilesystem ];
+  buildInputs = [ fmt rang libyamlcpp eigen catch2 boost gsl liblapack blas ];
+
+  meta = with stdenv.lib; {
+    description =
+      "d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations";
+    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 = licenses.gpl3Plus;
+    platforms = [ "x86_64-linux" ];
+    maintainers = [ maintainers.HaoZeke ];
+  };
+}
diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix
index 4ad39d7a228b..acc56803d5ae 100644
--- a/pkgs/top-level/all-packages.nix
+++ b/pkgs/top-level/all-packages.nix
@@ -25131,6 +25131,8 @@ in
     eigen = eigen2;
   };
 
+  d-seams = callPackage ../applications/science/chemistry/d-seams {};
+
   gwyddion = callPackage ../applications/science/chemistry/gwyddion {};
 
   jmol = callPackage ../applications/science/chemistry/jmol { };