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| author | Chris Ostrouchov <chris.ostrouchov@gmail.com> | 2018-09-14 02:08:48 -0400 |
|---|---|---|
| committer | Chris Ostrouchov <chris.ostrouchov@gmail.com> | 2018-10-15 08:43:50 -0400 |
| commit | 7717a2b844967ab1f53b7b89de7a35596fa9616d (patch) | |
| tree | 586f2b13b7b7d5cdeed3434df2412e3c5741bf1a /pkgs/applications/science/molecular-dynamics | |
| parent | aa4dd3898bd60bed1107f490ba18ea7d4cc41af7 (diff) | |
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dl-poly-classic: init 1.10
only mpi version provided
Diffstat (limited to 'pkgs/applications/science/molecular-dynamics')
| -rw-r--r-- | pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix | 37 |
1 files changed, 37 insertions, 0 deletions
diff --git a/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix b/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix new file mode 100644 index 00000000000..1986f3b75ec --- /dev/null +++ b/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix @@ -0,0 +1,37 @@ +{ stdenv, fetchurl +, gfortran, mpi +}: + +stdenv.mkDerivation rec { + version = "1.10"; + name = "DL_POLY_Classic-${version}"; + + src = fetchurl { + url = "https://ccpforge.cse.rl.ac.uk/gf/download/frsrelease/574/8924/dl_class_1.10.tar.gz"; + sha256 = "1r76zvln3bwycxlmqday0sqzv5j260y7mdh66as2aqny6jzd5ld7"; + }; + + buildInputs = [ mpi gfortran ]; + + configurePhase = '' + cd source + cp -v ../build/MakePAR Makefile + ''; + + buildPhase = '' + make dlpoly + ''; + + installPhase = '' + mkdir -p $out/bin + cp -v ../execute/DLPOLY.X $out/bin + ''; + + meta = with stdenv.lib; { + homepage = https://www.ccp5.ac.uk/DL_POLY_C; + description = "DL_POLY Classic is a general purpose molecular dynamics simulation package"; + license = licenses.bsdOriginal; + platforms = [ "x86_64-linux" ]; + maintainers = [ maintainers.costrouc ]; + }; +} |