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author | Alyssa Ross <hi@alyssa.is> | 2022-01-03 23:55:00 +0000 |
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committer | Alyssa Ross <hi@alyssa.is> | 2022-02-19 11:03:39 +0000 |
commit | f4cf97a04cd5d0b86aa46baec9fb228a8f671c03 (patch) | |
tree | 28192415ff39a661d0001563bf81cc93fa25d16d /nixpkgs/pkgs/development/libraries/science/chemistry | |
parent | f8422837c9bde058e8f2de37702e7e94b2226040 (diff) | |
parent | 18c84ea816348e2a098390101b92d1e39a9dbd45 (diff) | |
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Merge commit '18c84ea816348e2a098390101b92d1e39a9dbd45'
Conflicts: nixpkgs/nixos/modules/misc/documentation.nix nixpkgs/pkgs/applications/networking/browsers/firefox/packages.nix nixpkgs/pkgs/applications/window-managers/sway/default.nix nixpkgs/pkgs/build-support/rust/build-rust-package/default.nix nixpkgs/pkgs/development/go-modules/generic/default.nix nixpkgs/pkgs/development/interpreters/ruby/default.nix nixpkgs/pkgs/development/interpreters/ruby/patchsets.nix nixpkgs/pkgs/development/libraries/boehm-gc/7.6.6.nix nixpkgs/pkgs/development/python-modules/django-mailman3/default.nix nixpkgs/pkgs/servers/mail/mailman/web.nix nixpkgs/pkgs/top-level/aliases.nix nixpkgs/pkgs/top-level/all-packages.nix nixpkgs/pkgs/top-level/impure.nix
Diffstat (limited to 'nixpkgs/pkgs/development/libraries/science/chemistry')
-rw-r--r-- | nixpkgs/pkgs/development/libraries/science/chemistry/cppe/default.nix | 26 | ||||
-rw-r--r-- | nixpkgs/pkgs/development/libraries/science/chemistry/xcfun/default.nix | 2 |
2 files changed, 27 insertions, 1 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/cppe/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/cppe/default.nix new file mode 100644 index 000000000000..9781ce780660 --- /dev/null +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/cppe/default.nix @@ -0,0 +1,26 @@ +{ stdenv, lib, fetchFromGitHub, cmake, llvmPackages }: + +stdenv.mkDerivation rec { + pname = "cppe"; + version = "0.3.1"; + + src = fetchFromGitHub { + owner = "maxscheurer"; + repo = pname; + rev = "v${version}"; + sha256 = "sha256-guM7+ZWDJLcAUJtPkKLvC4LYSA2eBvER7cgwPZ7FxHw="; + }; + + nativeBuildInputs = [ cmake ] + ++ lib.optionals stdenv.cc.isClang [ llvmPackages.openmp ]; + + cmakeFlags = [ "-DCMAKE_INSTALL_LIBDIR=lib" ]; + + meta = with lib; { + description = "C++ and Python library for Polarizable Embedding"; + homepage = "https://github.com/maxscheurer/cppe"; + license = licenses.lgpl3Only; + platforms = platforms.unix; + maintainers = [ maintainers.sheepforce ]; + }; +} diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/xcfun/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/xcfun/default.nix index 7f8ef3dc47d7..0856168092cb 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/xcfun/default.nix +++ b/nixpkgs/pkgs/development/libraries/science/chemistry/xcfun/default.nix @@ -8,7 +8,7 @@ stdenv.mkDerivation rec { owner = "dftlibs"; repo = pname; rev = "v${version}"; - sha256= "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid"; + sha256 = "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid"; }; nativeBuildInputs = [ |