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authorAlyssa Ross <hi@alyssa.is>2021-06-22 15:01:47 +0000
committerAlyssa Ross <hi@alyssa.is>2021-06-22 16:57:59 +0000
commit633cab0ecb07627706c6b523e219490f019eaab5 (patch)
tree4fb472bdfe2723037dad53dc1b8a87c939015f5e /nixpkgs/pkgs/development/libraries/pcmsolver
parentffb691c199e7e0cbc4e45e5310779c9e3f7c2a73 (diff)
parent432fc2d9a67f92e05438dff5fdc2b39d33f77997 (diff)
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Merge commit '432fc2d9a67f92e05438dff5fdc2b39d33f77997'
# Conflicts:
#	nixpkgs/pkgs/applications/editors/emacs/elisp-packages/elpa-generated.nix
#	nixpkgs/pkgs/applications/networking/mailreaders/thunderbird/default.nix
#	nixpkgs/pkgs/applications/window-managers/sway/default.nix
#	nixpkgs/pkgs/build-support/rust/default.nix
#	nixpkgs/pkgs/development/go-modules/generic/default.nix
Diffstat (limited to 'nixpkgs/pkgs/development/libraries/pcmsolver')
-rw-r--r--nixpkgs/pkgs/development/libraries/pcmsolver/default.nix43
1 files changed, 43 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/libraries/pcmsolver/default.nix b/nixpkgs/pkgs/development/libraries/pcmsolver/default.nix
new file mode 100644
index 000000000000..8cd4b318cc5a
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/pcmsolver/default.nix
@@ -0,0 +1,43 @@
+{ lib, stdenv, fetchFromGitHub, cmake, perl, gfortran, python
+, boost, eigen, zlib
+} :
+
+stdenv.mkDerivation rec {
+  pname = "pcmsolver";
+  version = "1.3.0";
+
+  src = fetchFromGitHub  {
+    owner = "PCMSolver";
+    repo = pname;
+    rev = "v${version}";
+    sha256= "0jrxr8z21hjy7ik999hna9rdqy221kbkl3qkb06xw7g80rc9x9yr";
+  };
+
+  nativeBuildInputs = [
+    cmake
+    gfortran
+    perl
+    python
+  ];
+
+  buildInputs = [
+    boost
+    eigen
+    zlib
+  ];
+
+  cmakeFlags = [ "-DENABLE_OPENMP=ON" ];
+
+  hardeningDisable = [ "format" ];
+
+  # Requires files, that are not installed.
+  doCheck = false;
+
+  meta = with lib; {
+    description = "An API for the Polarizable Continuum Model";
+    homepage = "https://pcmsolver.readthedocs.io/en/stable/";
+    license = licenses.lgpl3Only;
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}