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authorHector Martinez-Seara <hseara@gmail.com>2022-12-05 19:43:08 +0100
committerGitHub <noreply@github.com>2022-12-05 10:43:08 -0800
commit4664b3cd1e822153878f348e8bf6341044042537 (patch)
treeafa8348e264529d03bdb587d615be52a408c3861 /var
parentdc7e0e3ef6613ffb368e13ec1038dd97d05fd9bd (diff)
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Added plumed version 2.8.1 including gromacs compatibility (#34268)
* Added plumed version 2.8.1 including gromacs compatibility * Corrected ~mpi and +mpi variants in new depends * Fixed regression logic plumed+gromacs@2020.6 support
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/gromacs/package.py14
-rw-r--r--var/spack/repos/builtin/packages/plumed/package.py2
2 files changed, 14 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py
index 95bc7dab98..3117811886 100644
--- a/var/spack/repos/builtin/packages/gromacs/package.py
+++ b/var/spack/repos/builtin/packages/gromacs/package.py
@@ -142,7 +142,9 @@ class Gromacs(CMakePackage):
depends_on("mpi", when="+mpi")
+ # Plumed 2.8.1 needs Gromacs 2022.3 2021.6, 2020.7, 2019.6
# Plumed 2.8.0 needs Gromacs 2021.4, 2020.6, 2019.6
+ # Plumed 2.7.5 needs Gromacs 2021.5, 2020.6, 2019.6
# Plumed 2.7.4 needs Gromacs 2021.4, 2020.6, 2019.6
# Plumed 2.7.3 needs Gromacs 2021.4, 2020.6, 2019.6
# Plumed 2.7.2 needs Gromacs 2021, 2020.6, 2019.6
@@ -170,6 +172,14 @@ class Gromacs(CMakePackage):
depends_on("plumed+mpi", when="+plumed+mpi")
depends_on("plumed~mpi", when="+plumed~mpi")
+ depends_on("plumed@2.8.1+mpi", when="@2022.3+plumed+mpi")
+ depends_on("plumed@2.8.1~mpi", when="@2022.3+plumed~mpi")
+ depends_on("plumed@2.8.1+mpi", when="@2021.6+plumed+mpi")
+ depends_on("plumed@2.8.1~mpi", when="@2021.6+plumed~mpi")
+ depends_on("plumed@2.8.1+mpi", when="@2020.7+plumed+mpi")
+ depends_on("plumed@2.8.1~mpi", when="@2020.7+plumed~mpi")
+ depends_on("plumed@2.7.5+mpi", when="@2021.5+plumed+mpi")
+ depends_on("plumed@2.7.5~mpi", when="@2021.5+plumed~mpi")
depends_on("plumed@2.7.3:2.8.0+mpi", when="@2021.4+plumed+mpi")
depends_on("plumed@2.7.3:2.8.0~mpi", when="@2021.4+plumed~mpi")
depends_on("plumed@2.7.1:2.7.2+mpi", when="@2021+plumed+mpi")
@@ -182,8 +192,8 @@ class Gromacs(CMakePackage):
depends_on("plumed@2.6.2:2.7.0~mpi", when="@2020.4+plumed~mpi")
depends_on("plumed@2.6.1+mpi", when="@2020.2+plumed+mpi")
depends_on("plumed@2.6.1~mpi", when="@2020.2+plumed~mpi")
- depends_on("plumed@2.6.1:2.8.0+mpi", when="@2019.6+plumed+mpi")
- depends_on("plumed@2.6.1:2.8.0~mpi", when="@2019.6+plumed~mpi")
+ depends_on("plumed@2.6.1:2.8.1+mpi", when="@2019.6+plumed+mpi")
+ depends_on("plumed@2.6.1:2.8.1~mpi", when="@2019.6+plumed~mpi")
depends_on("plumed@2.5.3:2.6.0+mpi", when="@2019.4+plumed+mpi")
depends_on("plumed@2.5.3:2.6.0~mpi", when="@2019.4+plumed~mpi")
depends_on("plumed@2.5.2+mpi", when="@2019.2+plumed+mpi")
diff --git a/var/spack/repos/builtin/packages/plumed/package.py b/var/spack/repos/builtin/packages/plumed/package.py
index a7a1d28fb3..5e1956ed5b 100644
--- a/var/spack/repos/builtin/packages/plumed/package.py
+++ b/var/spack/repos/builtin/packages/plumed/package.py
@@ -30,8 +30,10 @@ class Plumed(AutotoolsPackage):
version("master", branch="master")
+ version("2.8.1", sha256="f56bc9266c8a47241385c595717c2734a9b67148a7f4122b808bc0733710173e")
version("2.8.0", sha256="8357eca6f280125037ad4e7c427f96f2af2f60ddfedce1a2e36e1e1cc3bff32b")
+ version("2.7.5", sha256="39cb01108706df7ef71c7c315ddfc4306137f62ac72222b8582ab892221f7972")
version("2.7.4", sha256="6f5dc16a753c71ed719f17f9cbb61642ab8e716fb7f77e22960dfa145c3b8211")
version("2.7.3", sha256="aa1f6200c2ed351e40ce4391a9590f171532474b30f384feddfab10e36d7e08e")
version("2.7.2", sha256="c9a31e68d6440828cf186ca43c9e11a5e5c7ad1c96b2b66ed5a5a141fc954373")