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authorChristoph Junghans <junghans@lanl.gov>2021-07-20 01:59:01 -0600
committerGitHub <noreply@github.com>2021-07-20 09:59:01 +0200
commit899e08a180f1bf61a883463242a6945c7d5fc3a8 (patch)
treefe2ef5ab0a9192edc553565bd05de991ecb5e5cd
parentd511364a43d9bb5cf34df79e235a7e28e2e8f582 (diff)
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votca: add v2021.1 (#24949)
apply patch only to @2021
-rw-r--r--var/spack/repos/builtin/packages/votca-csg-tutorials/package.py3
-rw-r--r--var/spack/repos/builtin/packages/votca-csg/package.py3
-rw-r--r--var/spack/repos/builtin/packages/votca-tools/package.py3
-rw-r--r--var/spack/repos/builtin/packages/votca-xtp/package.py4
4 files changed, 9 insertions, 4 deletions
diff --git a/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py b/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py
index 2890a1bf0d..52636dca2d 100644
--- a/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py
+++ b/var/spack/repos/builtin/packages/votca-csg-tutorials/package.py
@@ -22,6 +22,7 @@ class VotcaCsgTutorials(CMakePackage):
version('master', branch='master')
version('stable', branch='stable')
+ version('2021.1', sha256='5ea1e6ca370e6e7845f9195495f5fb8bbd72d601980e123ae7852f491f03949a')
version('2021', sha256='2b85c69007bb7d773529020e55fd82fed65651ee21eedccca9a801ab248ece97')
version('1.6.4', sha256='34ef40db6b178a7f513f8a6f43e7caff6ecb498d66d7bf8bc44900bc7aea31dc')
version('1.6.3', sha256='709582b978d84f9de09ae6c3ba4ed28daec886d4e0431bc7d19c7246bd65f0b1')
@@ -34,6 +35,6 @@ class VotcaCsgTutorials(CMakePackage):
version('1.4', sha256='27d50acd68a9d8557fef18ec2b0c62841ae91c22275ab9afbd65c35e4dd5f719')
for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6", "1.6.1", "1.6.2",
- "1.6.3", "1.6.4", "2021", "master", "stable"]:
+ "1.6.3", "1.6.4", "2021", "2021.1", "master", "stable"]:
depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v))
depends_on("boost")
diff --git a/var/spack/repos/builtin/packages/votca-csg/package.py b/var/spack/repos/builtin/packages/votca-csg/package.py
index 5ecc282f34..320082884e 100644
--- a/var/spack/repos/builtin/packages/votca-csg/package.py
+++ b/var/spack/repos/builtin/packages/votca-csg/package.py
@@ -22,6 +22,7 @@ class VotcaCsg(CMakePackage):
version('master', branch='master')
version('stable', branch='stable')
+ version('2021.1', sha256='1e9cf90ddd7539e711e795292b721a4ee130a2089e659fa068a12960b77fff14')
version('2021', sha256='d66c9b30ce2a56d630d5db281444447d398be643005ebea70d3735fb60357305')
version('1.6.4', sha256='eae771b623f3c3edb09744030d053f10c75d64bad919df26c4f9bf3bfaa1cf86')
version('1.6.3', sha256='35456b1f3116364b10ada37d99798294bd2d3df2e670cef3936251f88036ef88')
@@ -35,7 +36,7 @@ class VotcaCsg(CMakePackage):
depends_on("cmake@2.8:", type='build')
for v in ["1.4", "1.4.1", "1.5", "1.5.1", "1.6", "1.6.1", "1.6.2",
- "1.6.3", "1.6.4", "2021", "master", "stable"]:
+ "1.6.3", "1.6.4", "2021", "2021.1", "master", "stable"]:
depends_on('votca-tools@%s' % v, when="@%s:%s.0" % (v, v))
depends_on("boost")
depends_on("gromacs~mpi@5.1:2019.9999")
diff --git a/var/spack/repos/builtin/packages/votca-tools/package.py b/var/spack/repos/builtin/packages/votca-tools/package.py
index 4bfc91b707..9a86a71dce 100644
--- a/var/spack/repos/builtin/packages/votca-tools/package.py
+++ b/var/spack/repos/builtin/packages/votca-tools/package.py
@@ -22,6 +22,7 @@ class VotcaTools(CMakePackage):
version('master', branch='master')
version('stable', branch='stable')
+ version('2021.1', sha256='c2fdf5ab72fc75580fb3623182fa88dd0eed856388bdc862aff42148bb0a16e7')
version('2021', sha256='b84f68ba4a8bfae7b06b61e1e078dcbfb3b340c516da3be39ef545152da00ccd')
version('1.6.4', sha256='aa79ef4617a80ba3ca063932d5ee0d5767c0285b4b613abd373ad3c986ab9f4c')
version('1.6.3', sha256='b4ba63861f4342070d81309992f76c4cc798dffeab894bff64799881e75b3cc2')
@@ -36,7 +37,7 @@ class VotcaTools(CMakePackage):
# https://github.com/votca/tools/pull/229, fix mkl in exported target
patch("https://github.com/votca/tools/pull/229.patch", sha256="250d0b679e5d3104e3c8d6adf99751b71386c7ed4cbdae1c75408717ef3f401f", when="@1.6:1.6.0+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", sha256="3c9fa5ac9cf45c54ac475bcb22350793efaccd6b5154e3d30c24b8aa754fe47b", when="@2021")
+ patch("https://github.com/votca/tools/commit/6bb7e35ba7d1a31247eafb323be2777ec0439cfe.patch", sha256="3c9fa5ac9cf45c54ac475bcb22350793efaccd6b5154e3d30c24b8aa754fe47b", when="@2021:2021.0")
variant('mkl', default=False, description='Build with MKL support')
conflicts('+mkl', when='@1.4:1.5.9999')
diff --git a/var/spack/repos/builtin/packages/votca-xtp/package.py b/var/spack/repos/builtin/packages/votca-xtp/package.py
index 51d6678876..731a30d21c 100644
--- a/var/spack/repos/builtin/packages/votca-xtp/package.py
+++ b/var/spack/repos/builtin/packages/votca-xtp/package.py
@@ -22,6 +22,7 @@ class VotcaXtp(CMakePackage):
version('master', branch='master')
version('stable', branch='stable')
+ version('2021.1', sha256='8ce112fc40676690369133188848dfeb3875d57351286cad4c312057a4dd767b')
version('2021', sha256='43bb5a52fec675738f4b5896f0833a1c1090bd7e74f97769697495abf4652e40')
version('1.6.4', sha256='699a835954556cf6b2f20dac7942c1761c6dd6c6c3fbdde62c8bfcfd71ee075b')
version('1.6.3', sha256='757b9a6a470b3c356f638d62269c5b72b8ace374f006658aef8bb6afd1ad1413')
@@ -34,7 +35,8 @@ class VotcaXtp(CMakePackage):
depends_on("cmake@2.8:", type='build')
for v in ["1.4.1", "1.5", "1.5.1", "1.6", "1.6.1", "1.6.2",
- "1.6.3", "1.6.4", "2021", "master", "stable"]:
+ "1.6.3", "1.6.4", "2021", "2021.1", "master",
+ "stable"]:
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='@stable,1.5:')