diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 46 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/plumed/package.py | 17 |
2 files changed, 42 insertions, 21 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index c801dc2b76..e8b48a39a5 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -99,21 +99,27 @@ class Gromacs(CMakePackage): depends_on('mpi', when='+mpi') - # Plumed 2.7.2 needs Gromacs 2021, 2020.6, 2019.6 - # Plumed 2.7.1 needs Gromacs 2021, 2020.5, 2019.6 - # Plumed 2.7.0 needs Gromacs 2020.4, 2019.6 - # Plumed 2.6.3 needs Gromacs 2020.4, 2019.6, 2018.8 - # Plumed 2.6.2 needs Gromacs 2020.4, 2019.6, 2018.8 - # Plumed 2.6.1 needs Gromacs 2020.2, 2019.6, 2018.8 - # Plumed 2.6.0 needs Gromacs 2019.4, 2018.8 - # Plumed 2.5.7 needs Gromacs 2019.4, 2018.8, 2016.6 - # Plumed 2.5.6 needs Gromacs 2019.4, 2018.8, 2016.6 - # Plumed 2.5.5 needs Gromacs 2019.4, 2018.8, 2016.6 - # Plumed 2.5.4 needs Gromacs 2019.4, 2018.8, 2016.6 - # Plumed 2.5.3 needs Gromacs 2019.4, 2018.8, 2016.6 - # Plumed 2.5.2 needs Gromacs 2019.2, 2018.6, 2016.6 - # Plumed 2.5.1 needs Gromacs 2018.6, 2016.6 - # Plumed 2.5.0 needs Gromacs 2018.4, 2016.5 + # Plumed 2.8.0 needs Gromacs 2021.4, 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 + # Plumed 2.7.1 needs Gromacs 2021, 2020.5, 2019.6 + # Plumed 2.7.0 needs Gromacs 2020.4, 2019.6 + # Plumed 2.6.6 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.5 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.4 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.3 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.2 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.1 needs Gromacs 2020.2, 2019.6, 2018.8 + # Plumed 2.6.0 needs Gromacs 2019.4, 2018.8 + # Plumed 2.5.7 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.6 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.5 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.4 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.3 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.2 needs Gromacs 2019.2, 2018.6, 2016.6 + # Plumed 2.5.1 needs Gromacs 2018.6, 2016.6 + # Plumed 2.5.0 needs Gromacs 2018.4, 2016.5 # Above dependencies can be verified, and new versions added, by going to # https://github.com/plumed/plumed2/tree/v2.7.1/patches @@ -121,18 +127,20 @@ class Gromacs(CMakePackage): depends_on('plumed+mpi', when='+plumed+mpi') depends_on('plumed~mpi', when='+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') depends_on('plumed@2.7.1:2.7.2~mpi', when='@2021+plumed~mpi') - depends_on('plumed@2.7.2+mpi', when='@2020.6+plumed+mpi') - depends_on('plumed@2.7.2~mpi', when='@2020.6+plumed~mpi') + depends_on('plumed@2.7.2:2.8+mpi', when='@2020.6+plumed+mpi') + depends_on('plumed@2.7.2:2.8~mpi', when='@2020.6+plumed~mpi') depends_on('plumed@2.7.1+mpi', when='@2020.5+plumed+mpi') depends_on('plumed@2.7.1~mpi', when='@2020.5+plumed~mpi') depends_on('plumed@2.6.2:2.7.0+mpi', when='@2020.4+plumed+mpi') 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@2.6.1:2.7.1+mpi', when='@2019.6+plumed+mpi') - depends_on('plumed@2.6.1:2.7.1~mpi', when='@2019.6+plumed~mpi') + depends_on('plumed@2.6.1:2.8.0+mpi', when='@2019.6+plumed+mpi') + depends_on('plumed@2.6.1:2.8.0~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 f057cda389..668069ea53 100644 --- a/var/spack/repos/builtin/packages/plumed/package.py +++ b/var/spack/repos/builtin/packages/plumed/package.py @@ -21,17 +21,27 @@ class Plumed(AutotoolsPackage): and C/C++ codes. """ homepage = 'https://www.plumed.org/' - url = 'https://github.com/plumed/plumed2/archive/v2.6.3.tar.gz' + url = 'https://github.com/plumed/plumed2/archive/v2.7.4.tar.gz' git = 'https://github.com/plumed/plumed2.git' version('master', branch='master') + + version('2.8.0', sha256='8357eca6f280125037ad4e7c427f96f2af2f60ddfedce1a2e36e1e1cc3bff32b') + + version('2.7.4', sha256='6f5dc16a753c71ed719f17f9cbb61642ab8e716fb7f77e22960dfa145c3b8211') + version('2.7.3', sha256='aa1f6200c2ed351e40ce4391a9590f171532474b30f384feddfab10e36d7e08e') version('2.7.2', sha256='c9a31e68d6440828cf186ca43c9e11a5e5c7ad1c96b2b66ed5a5a141fc954373') version('2.7.1', sha256='cb8b5735d8dd61980fa6441f3dde3f33544240ae4177da0f529fb5abb355cd4a') version('2.7.0', sha256='14450ea566c25ac9bf71fd77bb9c0c95e9038462b5739c73a515be82e2011cd6') - version('2.6.3', preferred=True, sha256='d05b9e4a4c1329fc932d5bdd04f20419be230f98159bdc012a91716461ab4a2f') + + version('2.6.6', sha256='43a7bb410280141c020363671c685a759d4497b3db3eb3c04899264b51a26859') + version('2.6.5', sha256='3b72587ba6fe72def46bcc7d917974123279879de7f8335acf542bba57865eed') + version('2.6.4', sha256='53e49c0db6cc769d238834bea884e856f4e7bb8f71c9929e5584bd977113f03b') + version('2.6.3', sha256='d05b9e4a4c1329fc932d5bdd04f20419be230f98159bdc012a91716461ab4a2f') version('2.6.2', sha256='bbc2ef0cb08d404513b8b737c72333b6656389e15effd6a0f9ace2a5758c9a4a') version('2.6.1', sha256='c1b3c397b2d971140aa240dde50e48a04ce78e3dedb02b6dca80fa53f8026e4e') version('2.6.0', sha256='3d57ae460607a49547ef38a52c4ac93493a3966857c352280a9c05f5dcdb1820') + version('2.5.7', sha256='aa10d2879c3edeaef9d5a530fe8b05f67ecfbec2e9423e0f95701d0bc54826c7') version('2.5.6', sha256='1bc29b0274196fb553cdf7ba8ecb7a93a91d60a920d99863edbcd536d618ce8c') version('2.5.5', sha256='70faa9ff1938e286dc388cb793b39840953e5646855b684f48df1bc864b737e8') @@ -41,12 +51,15 @@ class Plumed(AutotoolsPackage): version('2.5.1', sha256='de309980dcfd6f6e0e70e138856f4bd9eb4d8a513906a5e6389f18a5af7f2eba') version('2.5.0', sha256='53e08187ec9f8af2326fa84407e34644a7c51d2af93034309fb70675eee5e4f7') version('2.4.6', sha256='c22ad19f5cd36ce9fe4ba0b53158fc2a3d985c48fc04606e3f3b3e835b994cb3') + version('2.4.4', sha256='1e5c24109314481fad404da97d61c7339b219e27e120c9c80bacc79c9f6a51a8') version('2.4.2', sha256='528ce57f1f5330480bcd403140166a4580efd2acaea39c85dfeca5e2cd649321') version('2.4.1', sha256='f00410ebdd739c2ddf55fcd714ff4bd88a1029e02d2fc9cea0b5fca34e0fc4eb') + version('2.3.5', sha256='a6a66ca4582c1aecc6138c96be015e13cd06a718e8446b2f13e610fe34602e4f') version('2.3.3', sha256='ac058ff529f207d5b4169fb5a87bdb3c77307dfef1ac543ad8b6c74c5de7fc91') version('2.3.0', sha256='b1c8a54a313a0569e27e36420770074f35406453f73de70e55c424652abeddf1') + version('2.2.4', sha256='d7a1dba34a7fe03f23e8d39ab6e15b230c4851373fdceb3602e2de26ea53ce37') version('2.2.3', sha256='2db19c5f6a2918833941d0bf47b5431d0865529d786df797ccc966d763ed7b0c') |