119 lines
3.7 KiB
Python
119 lines
3.7 KiB
Python
# Copyright Spack Project Developers. See COPYRIGHT file for details.
|
|
#
|
|
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
|
|
|
|
|
|
from spack.package import *
|
|
|
|
|
|
class VotcaTools(CMakePackage):
|
|
"""Versatile Object-oriented Toolkit for Coarse-graining
|
|
Applications (VOTCA) is a package intended to reduce the amount of
|
|
routine work when doing systematic coarse-graining of various
|
|
systems. The core is written in C++.
|
|
|
|
This package contains the basic tools library of VOTCA.
|
|
"""
|
|
|
|
homepage = "https://www.votca.org"
|
|
url = "https://github.com/votca/tools/tarball/v1.4"
|
|
git = "https://github.com/votca/tools.git"
|
|
maintainers("junghans")
|
|
|
|
version("stable", branch="stable", deprecated=True)
|
|
version(
|
|
"2021.2",
|
|
sha256="2cd3175b65924803aff90dce49f60e1dda9015988a453d60358e51f0dbb4292d",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"2021.1",
|
|
sha256="c2fdf5ab72fc75580fb3623182fa88dd0eed856388bdc862aff42148bb0a16e7",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"2021",
|
|
sha256="b84f68ba4a8bfae7b06b61e1e078dcbfb3b340c516da3be39ef545152da00ccd",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.6.4",
|
|
sha256="aa79ef4617a80ba3ca063932d5ee0d5767c0285b4b613abd373ad3c986ab9f4c",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.6.3",
|
|
sha256="b4ba63861f4342070d81309992f76c4cc798dffeab894bff64799881e75b3cc2",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.6.2",
|
|
sha256="1b31e0dd7550b80b963e6714d671f3516d68ebc1e75068a5d827a6e8b4f1759a",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.6.1",
|
|
sha256="3e8f51d484cb3fdfbeb851aab387807ba4c40aecef8317c90182da68ad282dcc",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.6",
|
|
sha256="cfd0fedc80fecd009f743b5df47777508d76bf3ef294a508a9f11fbb42efe9a5",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.5.1",
|
|
sha256="4be4fe25a2910e24e1720cd9022d214001d38196033ade8f9d6e618b4f47d5c4",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.5",
|
|
sha256="a82a6596c24ff06e79eab17ca02f4405745ceeeb66369693a59023ad0b62cf22",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.4.1",
|
|
sha256="b6b87f6bec8db641a1d8660422ca44919252a69494b32ba6c8c9ac986bae9a65",
|
|
deprecated=True,
|
|
)
|
|
version(
|
|
"1.4",
|
|
sha256="41638122e7e59852af61d391b4ab8c308fd2e16652f768077e13a99d206ec5d3",
|
|
deprecated=True,
|
|
)
|
|
|
|
depends_on("cxx", type="build") # generated
|
|
|
|
# https://github.com/votca/tools/pull/229, fix mkl in exported target
|
|
patch(
|
|
"https://github.com/votca/tools/pull/229.patch?full_index=1",
|
|
sha256="2a9ef179904d5057f36a5ce533c002d8f5880dc4b3eba569825f4a7e7f055eb1",
|
|
when="@=1.6+mkl",
|
|
)
|
|
# https://github.com/votca/tools/pull/361, fix build with newer glibc/gcc, fixed in stable and 2021.1
|
|
patch(
|
|
"https://github.com/votca/tools/commit/6bb7e35ba7d1a31247eafb323be2777ec0439cfe.patch?full_index=1",
|
|
sha256="5a67eaf362755412b9825558bedb53fac3204713effd60c59f14c54eb1ad52b9",
|
|
when="@2021:2021.0",
|
|
)
|
|
|
|
variant("mkl", default=False, description="Build with MKL support")
|
|
conflicts("+mkl", when="@1.4:1.5")
|
|
|
|
depends_on("cmake@2.8:", type="build")
|
|
depends_on("expat")
|
|
depends_on("fftw-api@3")
|
|
depends_on("gsl", when="@1.4:1.4.9999")
|
|
depends_on("eigen@3.3:", when="@stable,1.5:")
|
|
depends_on("boost+exception+filesystem+system+container+math+program_options")
|
|
depends_on("sqlite", when="@1.4:1.5")
|
|
depends_on("mkl", when="+mkl")
|
|
|
|
def cmake_args(self):
|
|
args = ["-DWITH_RC_FILES=OFF"]
|
|
|
|
if "~mkl" in self.spec:
|
|
args.append("-DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON")
|
|
|
|
return args
|