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votca*: add v1.6_rc1 (#14017)

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* votca*: add v1.6_rc1

* votca: prefer v1.5.1
This commit is contained in:
Christoph Junghans
2019-12-07 09:04:15 -07:00
committed by Adam J. Stewart
parent 15bb5da99f
commit 969bc948b5
6 changed files with 79 additions and 10 deletions
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31
var/spack/repos/builtin/packages/votca-csg-tutorials/package.py Normal file
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@@ -0,0 +1,31 @@
# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class VotcaCsgTutorials(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 VOTCA coarse-graining tutorials.
"""
homepage = "http://www.votca.org"
url = "https://github.com/votca/csg-tutorials/tarball/v1.4"
git = "https://github.com/votca/csg-tutorials.git"
version('develop', branch='master')
version('1.6_rc1', sha256='87c4d945d2bdcb247e985cd407b0767c441f7810f1237ae65a63617f136e2ac9')
version('1.5.1', sha256='e35cea92df0e7d05ca7b449c1b5d84d887a3a23c7796abe3b84e4d6feec7faca', preferred=True)
version('1.5', sha256='03b841fb94129cf59781a7a5e3b71936c414aa9dfa17a50d7bc856d46274580c')
version('1.4.1', sha256='623724192c3a7d76b603a74a3326f181045f10f38b9f56dce754a90f1a74556e')
version('1.4', sha256='27d50acd68a9d8557fef18ec2b0c62841ae91c22275ab9afbd65c35e4dd5f719')
for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6_rc1", "develop"]:
depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v))
depends_on("boost")

6
var/spack/repos/builtin/packages/votca-csg/package.py
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@@ -20,13 +20,15 @@ class VotcaCsg(CMakePackage):
git = "https://github.com/votca/csg.git"
version('develop', branch='master')
version('1.5.1', sha256='7fca1261bd267bf38d2edd26259730fed3126c0c3fd91fb81940dbe17bb568fd')
version('1.6_rc1', sha256='163701a65a34f90e8a850370167a82cbebf2b5c0774b7a8ad07884451fe9e332')
version('1.5.1', sha256='7fca1261bd267bf38d2edd26259730fed3126c0c3fd91fb81940dbe17bb568fd', preferred=True)
version('1.5', sha256='160387cdc51f87dd20ff2e2eed97086beee415d48f3c92f4199f6109068c8ff4')
version('1.4.1', sha256='41dccaecadd0165c011bec36a113629e27745a5a133d1a042efe4356acdb5450')
version('1.4', sha256='c13e7febd792de8c3d426203f089bd4d33b8067f9db5e8840e4579c88b61146e')
depends_on("cmake@2.8:", type='build')
for v in ["1.4", "1.4.1", "1.5", "1.5.1", "develop"]:
for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6_rc1", "develop"]:
depends_on('votca-tools@%s' % v, when="@%s:%s.0" % (v, v))
depends_on("boost")
depends_on("gromacs~mpi@5.1:")
depends_on("hdf5~mpi")

31
var/spack/repos/builtin/packages/votca-csgapps/package.py Normal file
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@@ -0,0 +1,31 @@
# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class VotcaCsgapps(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 VOTCA coarse-graining extra apps.
"""
homepage = "http://www.votca.org"
url = "https://github.com/votca/csgapps/tarball/v1.4"
git = "https://github.com/votca/csgapps.git"
version('develop', branch='master')
version('1.6_rc1', sha256='069002f93f891e4aeb24920c1b2458bf8ee4842d273481aea5fa32247f815f02')
version('1.5.1', sha256='b4946711e88a1745688b6cce5aad872e6e2ea200fededf38d77a864883e3750e', preferred=True)
version('1.5', sha256='18b40ce6222509bc70aa9d56b8c538cd5903edf7294d6f95530668e555206d5b')
version('1.4.1', sha256='095d9ee4cd49d2fd79c10e0e84e6890b755e54dec6a5cd580a2b4241ba230a2b')
version('1.4', sha256='4ea8348c2f7de3cc488f48fbd8652e69b52515441952766c06ff67ed1aaf69a0')
for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6_rc1", "develop"]:
depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v))
depends_on("boost")

5
var/spack/repos/builtin/packages/votca-ctp/package.py
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@@ -24,7 +24,6 @@ class VotcaCtp(CMakePackage):
version('1.5', sha256='31eb6bcc9339e575116f0c91fe7a4ce7d4189f31f0640329c993fea911401d65')
depends_on("cmake@2.8:", type='build')
for v in ["1.5", "1.5.1", "develop"]:
depends_on('votca-tools@%s' % v, when="@%s:%s.0" % (v, v))
depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v))
depends_on('votca-tools@1.5.1')
depends_on('votca-csg@1.5.1')
depends_on("gsl")

8
var/spack/repos/builtin/packages/votca-tools/package.py
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@@ -20,18 +20,22 @@ class VotcaTools(CMakePackage):
git = "https://github.com/votca/tools.git"
version('develop', branch='master')
version('1.5.1', sha256='4be4fe25a2910e24e1720cd9022d214001d38196033ade8f9d6e618b4f47d5c4')
version('1.6_rc1', sha256='59b4bb64a93786a693e0cbc743a27c0bc451b9db2b0f63e4d2866f7aba10c268')
version('1.5.1', sha256='4be4fe25a2910e24e1720cd9022d214001d38196033ade8f9d6e618b4f47d5c4', preferred=True)
version('1.5', sha256='a82a6596c24ff06e79eab17ca02f4405745ceeeb66369693a59023ad0b62cf22')
version('1.4.1', sha256='b6b87f6bec8db641a1d8660422ca44919252a69494b32ba6c8c9ac986bae9a65')
version('1.4', sha256='41638122e7e59852af61d391b4ab8c308fd2e16652f768077e13a99d206ec5d3')
# https://github.com/votca/tools/pull/197, fix cmake module
patch("https://github.com/votca/tools/pull/197.patch", sha256="a06cce2a9cee63c8d01e4d1833f9cd2ba817b846c86fdb51ea5c9cd843135e68", when="@1.6_rc1")
depends_on("cmake@2.8:", type='build')
depends_on("expat")
depends_on("fftw")
depends_on("gsl", when="@:1.4.9999")
depends_on("eigen@3.3:", when="@1.5:")
depends_on("boost")
depends_on("sqlite")
depends_on("sqlite", when="@:1.5.9999")
def cmake_args(self):
args = [

8
var/spack/repos/builtin/packages/votca-xtp/package.py
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@@ -20,13 +20,15 @@ class VotcaXtp(CMakePackage):
git = "https://github.com/votca/xtp.git"
version('develop', branch='master')
version('1.5.1', sha256='17a7722e5a32d236e4f1f6f88b680da4ba5f52bcf65bca3687c6a1c731d10881')
version('1.6_rc1', sha256='144e74a6c4d31e490ca2bfaf4a30df12ccdc303efa5a7d1177c9b80035365ad5')
version('1.5.1', sha256='17a7722e5a32d236e4f1f6f88b680da4ba5f52bcf65bca3687c6a1c731d10881', preferred=True)
version('1.5', sha256='b40b6d19e13f0650e84b8beebe86ce5c09071624f18d66df826f9d8584b4d3c8')
version('1.4.1', sha256='4b53d371d6cf648c9e9e9bd1f104d349cafeaf10a02866e3f1d05c574b595a21')
depends_on("cmake@2.8:", type='build')
for v in ["1.4.1", "1.5", "1.5.1", "develop"]:
for v in ["1.4.1", "1.5", "1.5.1", "1.6_rc1", "develop"]:
depends_on('votca-tools@%s' % v, when="@%s:%s.0" % (v, v))
depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v))
depends_on("libxc", when='@1.5:')
depends_on("ceres-solver", when='@1.5:')
depends_on("ceres-solver", when='@1.5:1.5.9999')
depends_on("hdf5+cxx~mpi")